1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C24H40N4O3 — CID 142843536

IUPAC1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCC(N)CC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C24H40N4O3/c1-6-11-28(12-7-2)24(31)20-10-8-9-19(14-20)23(30)27-16-21(25)13-18(5)22(29)26-15-17(3)4/h8-10,14,17-18,21H,6-7,11-13,15-16,25H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyOWJCDZAPJPMETC-UHFFFAOYSA-N
MW432.61 g/mol
LogP2.80
Rot. Bonds13

About 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 142843536) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID142843536
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCC(N)CC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C24H40N4O3/c1-6-11-28(12-7-2)24(31)20-10-8-9-19(14-20)23(30)27-16-21(25)13-18(5)22(29)26-15-17(3)4/h8-10,14,17-18,21H,6-7,11-13,15-16,25H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyOWJCDZAPJPMETC-UHFFFAOYSA-N
XLogP2.80
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene
CID 142843712
1-N-[(2S,3S,5R)-3-amino-5-methyl-6-(2-methylpropylamino)-6-oxo-1-phenylhexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58737879
1-N-[(2S,3S,5R)-3-amino-5-methyl-6-(2-methylpropylamino)-6-oxo-1-thiophen-2-ylhexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58737936
3-[(3R,4S,6R)-4-amino-7-(2-ethylbutylamino)-6-methyl-3-(2-methylpropyl)-7-oxoheptanoyl]-N,N-dipropylbenzamide
CID 58737841
1-N-[(2R)-4-methyl-5-(3-methylbutylamino)-5-oxo-1-phenylpentan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 173156515
1-N-[(3S,4S,6R)-4-amino-1-cyclopropyl-6-methyl-7-[[(2S)-2-methylbutyl]amino]-7-oxoheptan-3-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58737855
1-N-[(2S,3S,5R)-3-amino-1-(2,3-difluorophenyl)-5-methyl-6-[[(2S)-2-methylbutyl]amino]-6-oxohexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58738097
1-N-[(2S,3S,5R)-3-amino-5-methyl-6-(4-methylanilino)-6-oxohexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58714945
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119348612
(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
1-N-[(2R)-5-anilino-4-methyl-5-oxo-1-phenylpentan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 173156519
3-methyl-N-(2-methylpropyl)benzamide
CID 835315

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 142843536) is 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)NCC(N)CC(C)C(=O)NCC(C)C)c1.
What is the InChIKey of 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is OWJCDZAPJPMETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-6-11-28(12-7-2)24(31)20-10-8-9-19(14-20)23(30)27-16-21(25)13-18(5)22(29)26-15-17(3)4/h8-10,14,17-18,21H,6-7,11-13,15-16,25H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 432.61 g/mol, XLogP of 2.80, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 142843536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).