4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide

C23H30N2O2 — CID 46512708

IUPAC4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESCc1cccc(OCCCC(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C23H30N2O2/c1-19-9-7-12-21(17-19)27-16-8-13-23(26)24-18-22(25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7,9-12,17,22H,5-6,8,13-16,18H2,1H3,(H,24,26)
InChIKeyABIDKDQQRVBAEP-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.11
Rot. Bonds9

About 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide

4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 46512708) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
PubChem CID46512708
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESCc1cccc(OCCCC(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C23H30N2O2/c1-19-9-7-12-21(17-19)27-16-8-13-23(26)24-18-22(25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7,9-12,17,22H,5-6,8,13-16,18H2,1H3,(H,24,26)
InChIKeyABIDKDQQRVBAEP-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide 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

2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
CID 51947652
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931343
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide (CID 46512708) is 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide is Cc1cccc(OCCCC(=O)NCC(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is ABIDKDQQRVBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-19-9-7-12-21(17-19)27-16-8-13-23(26)24-18-22(25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7,9-12,17,22H,5-6,8,13-16,18H2,1H3,(H,24,26).
What are the key properties of 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 366.51 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 46512708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).