1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide

C26H29NO2 — CID 100720091

IUPAC1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12
InChIInChI=1S/C26H29NO2/c1-3-17-29-24-14-13-23(21-11-4-5-12-22(21)24)27-25(28)26(15-6-7-16-26)20-10-8-9-19(2)18-20/h4-5,8-14,18H,3,6-7,15-17H2,1-2H3,(H,27,28)
InChIKeyQJSPCPWFQSYCRO-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.39
Rot. Bonds6

About 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide

1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide (PubChem CID 100720091) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
PubChem CID100720091
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12
InChIInChI=1S/C26H29NO2/c1-3-17-29-24-14-13-23(21-11-4-5-12-22(21)24)27-25(28)26(15-6-7-16-26)20-10-8-9-19(2)18-20/h4-5,8-14,18H,3,6-7,15-17H2,1-2H3,(H,27,28)
InChIKeyQJSPCPWFQSYCRO-UHFFFAOYSA-N
XLogP6.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770758
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
CID 100782956
1-methoxy-4-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757809

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide (CID 100720091) is 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12.
What is the InChIKey of 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide?
The InChIKey is QJSPCPWFQSYCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-3-17-29-24-14-13-23(21-11-4-5-12-22(21)24)27-25(28)26(15-6-7-16-26)20-10-8-9-19(2)18-20/h4-5,8-14,18H,3,6-7,15-17H2,1-2H3,(H,27,28).
What are the key properties of 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide?
1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100720091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).