(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride

C13H20ClN3O2 — CID 119268629

IUPAC(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-8-5-4-6-9(2)12(8)16-11(17)7-15-13(18)10(3)14;/h4-6,10H,7,14H2,1-3H3,(H,15,18)(H,16,17);1H/t10-;/m1./s1
InChIKeyZZSMQGCENFRLKM-HNCPQSOCSA-N
MW285.78 g/mol
LogP1.13
Rot. Bonds4

About (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride (PubChem CID 119268629) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
PubChem CID119268629
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-8-5-4-6-9(2)12(8)16-11(17)7-15-13(18)10(3)14;/h4-6,10H,7,14H2,1-3H3,(H,15,18)(H,16,17);1H/t10-;/m1./s1
InChIKeyZZSMQGCENFRLKM-HNCPQSOCSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119684604
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)sulfanylpropanamide
CID 60561702
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
CID 51140359
(2R)-2-(azepan-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032994
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-piperidin-1-ium-1-ylpropanamide
CID 9032781
(2S)-2-(azepan-1-ium-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032997
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
benzyl N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 26005830
(2R)-2-(4-acetylpiperazin-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9033789
1-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9034713
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride (CID 119268629) is (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride is Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride?
The InChIKey is ZZSMQGCENFRLKM-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-8-5-4-6-9(2)12(8)16-11(17)7-15-13(18)10(3)14;/h4-6,10H,7,14H2,1-3H3,(H,15,18)(H,16,17);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride is sourced from PubChem (CID 119268629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).