N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide

C27H31NO4 — CID 175240155

IUPACN-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=C(Cc3ccccc3)C(C=O)CCC2)cc1OC1CCCC1
InChIInChI=1S/C27H31NO4/c1-31-25-15-14-20(17-26(25)32-22-11-5-6-12-22)27(30)28-24-13-7-10-21(18-29)23(24)16-19-8-3-2-4-9-19/h2-4,8-9,14-15,17-18,21-22H,5-7,10-13,16H2,1H3,(H,28,30)
InChIKeyHFPUFXWRAZVWEC-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.24
Rot. Bonds8

About N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide

N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide (PubChem CID 175240155) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide
PubChem CID175240155
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC NameN-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=C(Cc3ccccc3)C(C=O)CCC2)cc1OC1CCCC1
InChIInChI=1S/C27H31NO4/c1-31-25-15-14-20(17-26(25)32-22-11-5-6-12-22)27(30)28-24-13-7-10-21(18-29)23(24)16-19-8-3-2-4-9-19/h2-4,8-9,14-15,17-18,21-22H,5-7,10-13,16H2,1H3,(H,28,30)
InChIKeyHFPUFXWRAZVWEC-UHFFFAOYSA-N
XLogP5.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide
CID 175240156
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
(NZ)-N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 57432829
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide
CID 175241657

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide?
The IUPAC name of N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide (CID 175240155) is N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide?
The canonical SMILES for N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide is COc1ccc(C(=O)NC2=C(Cc3ccccc3)C(C=O)CCC2)cc1OC1CCCC1.
What is the InChIKey of N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide?
The InChIKey is HFPUFXWRAZVWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-31-25-15-14-20(17-26(25)32-22-11-5-6-12-22)27(30)28-24-13-7-10-21(18-29)23(24)16-19-8-3-2-4-9-19/h2-4,8-9,14-15,17-18,21-22H,5-7,10-13,16H2,1H3,(H,28,30).
What are the key properties of N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide?
N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide has a molecular weight of 433.55 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide is sourced from PubChem (CID 175240155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).