1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane

C41H65N4O4P — CID 142873870

IUPAC1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane
SMILESC/C=C(C)\C=C(\P)CC.CC.CC.CCCN(CCC)C(=O)c1cc(C(=O)NCC(N)COCc2cccc(CC)c2)cc(-c2ncco2)c1
InChIInChI=1S/C29H38N4O4.C8H15P.2C2H6/c1-4-11-33(12-5-2)29(35)25-16-23(15-24(17-25)28-31-10-13-37-28)27(34)32-18-26(30)20-36-19-22-9-7-8-21(6-3)14-22;1-4-7(3)6-8(9)5-2;2*1-2/h7-10,13-17,26H,4-6,11-12,18-20,30H2,1-3H3,(H,32,34);4,6H,5,9H2,1-3H3;2*1-2H3/b;7-4-,8-6+;;
InChIKeyPLDHWDZNDRPXFL-DPDIOZKESA-N
MW708.97 g/mol
LogP9.61
Rot. Bonds16

About 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane

1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane (PubChem CID 142873870) has the molecular formula C41H65N4O4P and a molecular weight of 708.97 g/mol. Its IUPAC name is 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane.

Molecular Properties

Compound Name1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane
PubChem CID142873870
Molecular FormulaC41H65N4O4P
Molecular Weight708.97 g/mol
Exact Mass708.47
IUPAC Name1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane
SMILESC/C=C(C)\C=C(\P)CC.CC.CC.CCCN(CCC)C(=O)c1cc(C(=O)NCC(N)COCc2cccc(CC)c2)cc(-c2ncco2)c1
InChIInChI=1S/C29H38N4O4.C8H15P.2C2H6/c1-4-11-33(12-5-2)29(35)25-16-23(15-24(17-25)28-31-10-13-37-28)27(34)32-18-26(30)20-36-19-22-9-7-8-21(6-3)14-22;1-4-7(3)6-8(9)5-2;2*1-2/h7-10,13-17,26H,4-6,11-12,18-20,30H2,1-3H3,(H,32,34);4,6H,5,9H2,1-3H3;2*1-2H3/b;7-4-,8-6+;;
InChIKeyPLDHWDZNDRPXFL-DPDIOZKESA-N
XLogP9.61
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.97
LogP ≤ 59.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane with MolForge

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Related Compounds

1-N-[3-amino-1-(3,5-difluorophenyl)-4-[(4-ethyl-2-pyridinyl)methoxy]butan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 70990432
3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide
CID 21062892
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethynylphenyl)methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-oxazol-2-yl)benzoate
CID 10326641
1-N-[(2S,3R)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N-methyl-5-(1,3-oxazol-2-yl)-3-N-propylbenzene-1,3-dicarboxamide
CID 58802665
1-N-[(2S)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N-methyl-5-(1,3-oxazol-2-yl)-3-N-propylbenzene-1,3-dicarboxamide
CID 71215428
1-N-[(2S,3R)-4-[[3-(diethylamino)phenyl]methylamino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-1-N-methyl-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142241815
[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methoxy]butan-2-yl]-butyl-[3-carbamoyl-5-(1,3-oxazol-2-yl)benzoyl]-methylazanium
CID 87579702
1-N-[(2S,3S)-1-(3,5-difluorophenyl)-3-[[[1-(3-ethynylphenyl)cyclopropyl]amino]methyl]-4-oxobutan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142872418
1-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-(pyridin-2-ylmethylamino)butan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 72651283
1-N-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(4-ethyl-2-pyridinyl)methoxy]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10076939
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(4-methyl-1,3-oxazol-2-yl)benzoate
CID 10372035
1-N-[2-hydroxy-4-[(3-methoxyphenyl)methoxy]butyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142245411

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane?
The IUPAC name of 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane (CID 142873870) is 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane.
What is the SMILES notation for 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane?
The canonical SMILES for 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane is C/C=C(C)\C=C(\P)CC.CC.CC.CCCN(CCC)C(=O)c1cc(C(=O)NCC(N)COCc2cccc(CC)c2)cc(-c2ncco2)c1.
What is the InChIKey of 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane?
The InChIKey is PLDHWDZNDRPXFL-DPDIOZKESA-N. The full InChI is InChI=1S/C29H38N4O4.C8H15P.2C2H6/c1-4-11-33(12-5-2)29(35)25-16-23(15-24(17-25)28-31-10-13-37-28)27(34)32-18-26(30)20-36-19-22-9-7-8-21(6-3)14-22;1-4-7(3)6-8(9)5-2;2*1-2/h7-10,13-17,26H,4-6,11-12,18-20,30H2,1-3H3,(H,32,34);4,6H,5,9H2,1-3H3;2*1-2H3/b;7-4-,8-6+;;.
What are the key properties of 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane?
1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane has a molecular weight of 708.97 g/mol, XLogP of 9.61, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane is sourced from PubChem (CID 142873870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).