2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride

C21H28ClN3O2 — CID 119739626

IUPAC2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-4-14-21(2,22)20(26)23-17-12-10-16(11-13-17)15-19(25)24(3)18-8-6-5-7-9-18;/h5-13H,4,14-15,22H2,1-3H3,(H,23,26);1H
InChIKeyBEZVOELFAPYNQI-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.77
Rot. Bonds7

About 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride (PubChem CID 119739626) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
PubChem CID119739626
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-4-14-21(2,22)20(26)23-17-12-10-16(11-13-17)15-19(25)24(3)18-8-6-5-7-9-18;/h5-13H,4,14-15,22H2,1-3H3,(H,23,26);1H
InChIKeyBEZVOELFAPYNQI-UHFFFAOYSA-N
XLogP3.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]butanamide;hydrochloride
CID 119739604
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
(2S)-2-amino-4-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
CID 119739628
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119792370
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509
N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119298239
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119684964

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride (CID 119739626) is 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride?
The InChIKey is BEZVOELFAPYNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-4-14-21(2,22)20(26)23-17-12-10-16(11-13-17)15-19(25)24(3)18-8-6-5-7-9-18;/h5-13H,4,14-15,22H2,1-3H3,(H,23,26);1H.
What are the key properties of 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119739626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).