N-butyl-3-(4-phenylmethoxyanilino)propanamide

C20H26N2O2 — CID 109012323

IUPACN-butyl-3-(4-phenylmethoxyanilino)propanamide
SMILESCCCCNC(=O)CCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-14-22-20(23)13-15-21-18-9-11-19(12-10-18)24-16-17-7-5-4-6-8-17/h4-12,21H,2-3,13-16H2,1H3,(H,22,23)
InChIKeyLGMOCFNJJFYPIE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.98
Rot. Bonds10

About N-butyl-3-(4-phenylmethoxyanilino)propanamide

N-butyl-3-(4-phenylmethoxyanilino)propanamide (PubChem CID 109012323) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-3-(4-phenylmethoxyanilino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-phenylmethoxyanilino)propanamide
PubChem CID109012323
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-butyl-3-(4-phenylmethoxyanilino)propanamide
SMILESCCCCNC(=O)CCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-14-22-20(23)13-15-21-18-9-11-19(12-10-18)24-16-17-7-5-4-6-8-17/h4-12,21H,2-3,13-16H2,1H3,(H,22,23)
InChIKeyLGMOCFNJJFYPIE-UHFFFAOYSA-N
XLogP3.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023273
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
N-methyl-N-phenyl-3-(4-phenylmethoxyanilino)propanamide
CID 109034597
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-phenylmethoxyanilino)propanamide?
The IUPAC name of N-butyl-3-(4-phenylmethoxyanilino)propanamide (CID 109012323) is N-butyl-3-(4-phenylmethoxyanilino)propanamide.
What is the SMILES notation for N-butyl-3-(4-phenylmethoxyanilino)propanamide?
The canonical SMILES for N-butyl-3-(4-phenylmethoxyanilino)propanamide is CCCCNC(=O)CCNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-butyl-3-(4-phenylmethoxyanilino)propanamide?
The InChIKey is LGMOCFNJJFYPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-3-14-22-20(23)13-15-21-18-9-11-19(12-10-18)24-16-17-7-5-4-6-8-17/h4-12,21H,2-3,13-16H2,1H3,(H,22,23).
What are the key properties of N-butyl-3-(4-phenylmethoxyanilino)propanamide?
N-butyl-3-(4-phenylmethoxyanilino)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-phenylmethoxyanilino)propanamide is sourced from PubChem (CID 109012323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).