N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide

C20H31NO3 — CID 78876204

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CCOCC2CCCO2)cc1
InChIInChI=1S/C20H31NO3/c1-15(2)13-17-6-8-18(9-7-17)16(3)21-20(22)10-12-23-14-19-5-4-11-24-19/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H,21,22)
InChIKeyFYOYLBQJLVALTO-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.65
Rot. Bonds9

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 78876204) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID78876204
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CCOCC2CCCO2)cc1
InChIInChI=1S/C20H31NO3/c1-15(2)13-17-6-8-18(9-7-17)16(3)21-20(22)10-12-23-14-19-5-4-11-24-19/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H,21,22)
InChIKeyFYOYLBQJLVALTO-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide 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-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778
2-[4-(2-methylpropyl)phenyl]-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]propanamide
CID 54782377
N,N-dimethyl-2-[[[1-[4-(2-methylpropyl)phenyl]ethylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
CID 111541986
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 119605686
N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 71985293
4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54782327
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 78876204) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide is CC(C)Cc1ccc(C(C)NC(=O)CCOCC2CCCO2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is FYOYLBQJLVALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-15(2)13-17-6-8-18(9-7-17)16(3)21-20(22)10-12-23-14-19-5-4-11-24-19/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 333.47 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 78876204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).