4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide

C27H35N3O3 — CID 56525116

IUPAC4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C2CCC(C)CC2)C2CC2)cc1
InChIInChI=1S/C27H35N3O3/c1-19-7-13-22(14-8-19)30(23-15-16-23)18-17-26(31)28-21-11-9-20(10-12-21)27(32)29-24-5-3-4-6-25(24)33-2/h3-6,9-12,19,22-23H,7-8,13-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyWOOWHQFFWAOPNE-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.32
Rot. Bonds9

About 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide

4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 56525116) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID56525116
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C2CCC(C)CC2)C2CC2)cc1
InChIInChI=1S/C27H35N3O3/c1-19-7-13-22(14-8-19)30(23-15-16-23)18-17-26(31)28-21-11-9-20(10-12-21)27(32)29-24-5-3-4-6-25(24)33-2/h3-6,9-12,19,22-23H,7-8,13-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyWOOWHQFFWAOPNE-UHFFFAOYSA-N
XLogP5.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
CID 52546324
N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
CID 56527051
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
4-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8930945
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46682622
4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56526790
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate
CID 56527077
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8583822

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide (CID 56525116) is 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C2CCC(C)CC2)C2CC2)cc1.
What is the InChIKey of 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is WOOWHQFFWAOPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-19-7-13-22(14-8-19)30(23-15-16-23)18-17-26(31)28-21-11-9-20(10-12-21)27(32)29-24-5-3-4-6-25(24)33-2/h3-6,9-12,19,22-23H,7-8,13-18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 449.60 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 56525116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).