N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

C23H31N3O3 — CID 17438079

IUPACN-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-16(22(28)25-19-9-7-17(8-10-19)23(2,3)4)26(5)15-21(27)24-18-11-13-20(29-6)14-12-18/h7-14,16H,15H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyUFOHMRXURLUIQI-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.89
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 17438079) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID17438079
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-16(22(28)25-19-9-7-17(8-10-19)23(2,3)4)26(5)15-21(27)24-18-11-13-20(29-6)14-12-18/h7-14,16H,15H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyUFOHMRXURLUIQI-UHFFFAOYSA-N
XLogP3.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351270
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
3-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911900
(2S)-N-(4-acetylphenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]propanamide
CID 31390162
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 17438079) is N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is COc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is UFOHMRXURLUIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16(22(28)25-19-9-7-17(8-10-19)23(2,3)4)26(5)15-21(27)24-18-11-13-20(29-6)14-12-18/h7-14,16H,15H2,1-6H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 17438079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).