4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride

C32H42ClN3O3 — CID 166691488

IUPAC4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(C(CC(=O)NC2CCC(C(=O)NO)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C32H41N3O3.ClH/c1-22-8-7-11-25(18-22)28(19-31(36)33-26-16-14-24(15-17-26)32(37)34-38)29-21-35(20-23-9-3-2-4-10-23)30-13-6-5-12-27(29)30;/h5-8,11-13,18,21,23-24,26,28,38H,2-4,9-10,14-17,19-20H2,1H3,(H,33,36)(H,34,37);1H
InChIKeyYJAPVSQWOVUTOQ-UHFFFAOYSA-N
MW552.16 g/mol
LogP6.65
Rot. Bonds8

About 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride

4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride (PubChem CID 166691488) has the molecular formula C32H42ClN3O3 and a molecular weight of 552.16 g/mol. Its IUPAC name is 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
PubChem CID166691488
Molecular FormulaC32H42ClN3O3
Molecular Weight552.16 g/mol
Exact Mass551.29
IUPAC Name4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(C(CC(=O)NC2CCC(C(=O)NO)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C32H41N3O3.ClH/c1-22-8-7-11-25(18-22)28(19-31(36)33-26-16-14-24(15-17-26)32(37)34-38)29-21-35(20-23-9-3-2-4-10-23)30-13-6-5-12-27(29)30;/h5-8,11-13,18,21,23-24,26,28,38H,2-4,9-10,14-17,19-20H2,1H3,(H,33,36)(H,34,37);1H
InChIKeyYJAPVSQWOVUTOQ-UHFFFAOYSA-N
XLogP6.65
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.16
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
3-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 157211612
N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579601
N-(4-aminocyclohexyl)-3-[5-cyano-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 162459873
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495
3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579632
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride
CID 162460029
N-(4-aminocyclohexyl)-3-[5-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579439
5-(4-aminocyclohexyl)-1-[1-(cyclohexylmethyl)indol-3-yl]-1-(3-methylphenyl)pentan-3-one;hydrochloride
CID 158883705
1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one
CID 142579700

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride (CID 166691488) is 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride is Cc1cccc(C(CC(=O)NC2CCC(C(=O)NO)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.Cl.
What is the InChIKey of 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YJAPVSQWOVUTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O3.ClH/c1-22-8-7-11-25(18-22)28(19-31(36)33-26-16-14-24(15-17-26)32(37)34-38)29-21-35(20-23-9-3-2-4-10-23)30-13-6-5-12-27(29)30;/h5-8,11-13,18,21,23-24,26,28,38H,2-4,9-10,14-17,19-20H2,1H3,(H,33,36)(H,34,37);1H.
What are the key properties of 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride?
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride has a molecular weight of 552.16 g/mol, XLogP of 6.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 166691488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).