1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C23H37N3O3 — CID 142106646

IUPAC1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESC=C(C)CCC(NC(=O)c1cc(C)cc(C(=O)N(CCC)CCC)c1)C(O)CN
InChIInChI=1S/C23H37N3O3/c1-6-10-26(11-7-2)23(29)19-13-17(5)12-18(14-19)22(28)25-20(21(27)15-24)9-8-16(3)4/h12-14,20-21,27H,3,6-11,15,24H2,1-2,4-5H3,(H,25,28)
InChIKeyURVMCXWDMYWODX-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.03
Rot. Bonds12

About 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 142106646) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID142106646
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESC=C(C)CCC(NC(=O)c1cc(C)cc(C(=O)N(CCC)CCC)c1)C(O)CN
InChIInChI=1S/C23H37N3O3/c1-6-10-26(11-7-2)23(29)19-13-17(5)12-18(14-19)22(28)25-20(21(27)15-24)9-8-16(3)4/h12-14,20-21,27H,3,6-11,15,24H2,1-2,4-5H3,(H,25,28)
InChIKeyURVMCXWDMYWODX-UHFFFAOYSA-N
XLogP3.03
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(2S,3R,4R)-1-(3,5-difluorophenyl)-3,4-dihydroxyoctan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 59067284
1-N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-6-oxoheptan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;yttrium
CID 58715335
1-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(2H-triazol-4-yl)pentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10279916
5-methyl-3-N,3-N-dipropyl-1-N-[(2S,3R)-1,3,4,5-tetrahydroxypentan-2-yl]oxybenzene-1,3-dicarboxamide
CID 87825825
1-N-(4-benzamido-2,3-dihydroxy-6-methoxyhexyl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142205597
1-N-(3,4-dihydroxy-6-methylsulfanyl-1-phenylhexan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 22394850
1-N-[5,6-dihydroxy-2,8-dimethyl-7-(2-methylpropylcarbamoyl)nonan-4-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 23577932
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[2-(4-methylpentanoyl)hydrazinyl]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 69419348
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-hydroxybutan-2-ylamino)butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 68609117
1-N-[(2S,3R)-4-(2-acetamidoethylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 68610196
1-N-[(2S,3S)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10209484
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-5-[(2-methoxyacetyl)amino]pentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 69420815

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 142106646) is 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is C=C(C)CCC(NC(=O)c1cc(C)cc(C(=O)N(CCC)CCC)c1)C(O)CN.
What is the InChIKey of 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is URVMCXWDMYWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-6-10-26(11-7-2)23(29)19-13-17(5)12-18(14-19)22(28)25-20(21(27)15-24)9-8-16(3)4/h12-14,20-21,27H,3,6-11,15,24H2,1-2,4-5H3,(H,25,28).
What are the key properties of 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.03, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-amino-2-hydroxy-6-methylhept-6-en-3-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 142106646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).