N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide

C22H27NO — CID 57367403

IUPACN-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(CCCCc1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H27NO/c24-19-23(18-10-7-13-20-11-3-1-4-12-20)22(16-8-9-17-22)21-14-5-2-6-15-21/h1-6,11-12,14-15,19H,7-10,13,16-18H2
InChIKeyAGEFXIWDQOCPGF-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.94
Rot. Bonds8

About N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide

N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide (PubChem CID 57367403) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide
PubChem CID57367403
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(CCCCc1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H27NO/c24-19-23(18-10-7-13-20-11-3-1-4-12-20)22(16-8-9-17-22)21-14-5-2-6-15-21/h1-6,11-12,14-15,19H,7-10,13,16-18H2
InChIKeyAGEFXIWDQOCPGF-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide
CID 53446228
N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide
CID 57367389
4-phenylbutylbenzene
CID 141301927
N-benzyl-N-methyl-1-phenylcyclohexan-1-amine
CID 86069546
N-cyclooctyl-N-(1-phenylcyclopentyl)formamide
CID 53446301
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide
CID 87957144
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide (CID 57367403) is N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide is O=CN(CCCCc1ccccc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide?
The InChIKey is AGEFXIWDQOCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-19-23(18-10-7-13-20-11-3-1-4-12-20)22(16-8-9-17-22)21-14-5-2-6-15-21/h1-6,11-12,14-15,19H,7-10,13,16-18H2.
What are the key properties of N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide?
N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide has a molecular weight of 321.46 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 57367403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).