N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide

C19H22N2O2 — CID 58904339

IUPACN-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide
SMILESCN[C@@H](Cc1ccc(-c2cccc(NC(C)=O)c2)cc1)C(C)=O
InChIInChI=1S/C19H22N2O2/c1-13(22)19(20-3)11-15-7-9-16(10-8-15)17-5-4-6-18(12-17)21-14(2)23/h4-10,12,19-20H,11H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyIOEZWEDDOVJLPF-IBGZPJMESA-N
MW310.40 g/mol
LogP3.03
Rot. Bonds6

About N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide

N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide (PubChem CID 58904339) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide
PubChem CID58904339
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide
SMILESCN[C@@H](Cc1ccc(-c2cccc(NC(C)=O)c2)cc1)C(C)=O
InChIInChI=1S/C19H22N2O2/c1-13(22)19(20-3)11-15-7-9-16(10-8-15)17-5-4-6-18(12-17)21-14(2)23/h4-10,12,19-20H,11H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyIOEZWEDDOVJLPF-IBGZPJMESA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
4-(3-acetamidophenyl)benzoate
CID 86306420
ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
CID 91249652
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
4-[4-(3-acetamidophenyl)phenyl]-3-[amino-[(Z)-2-amino-3-(methylamino)prop-1-enyl]amino]-N-hydroxybutanamide
CID 167210636
[3-[4-(aminomethyl)phenyl]phenyl]urea
CID 141415129
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 90681433
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
(3S)-3-(methylamino)-4-[4-[(E)-prop-1-enyl]phenyl]butan-2-one
CID 58904378

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide (CID 58904339) is N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide is CN[C@@H](Cc1ccc(-c2cccc(NC(C)=O)c2)cc1)C(C)=O.
What is the InChIKey of N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide?
The InChIKey is IOEZWEDDOVJLPF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(22)19(20-3)11-15-7-9-16(10-8-15)17-5-4-6-18(12-17)21-14(2)23/h4-10,12,19-20H,11H2,1-3H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide?
N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 58904339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).