N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide

C19H22N2O3 — CID 113000427

IUPACN-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-6-18(22)20-13-19(23)21-16-9-11-17(12-10-16)24-14-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyIGEGXMZSEXAPAQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.12
Rot. Bonds8

About N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide

N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide (PubChem CID 113000427) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
PubChem CID113000427
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-6-18(22)20-13-19(23)21-16-9-11-17(12-10-16)24-14-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyIGEGXMZSEXAPAQ-UHFFFAOYSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
2-methyl-N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]benzamide
CID 92532530
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide?
The IUPAC name of N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide (CID 113000427) is N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide is CCCC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide?
The InChIKey is IGEGXMZSEXAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-6-18(22)20-13-19(23)21-16-9-11-17(12-10-16)24-14-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide?
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide has a molecular weight of 326.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide is sourced from PubChem (CID 113000427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).