(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride

C17H28ClN3O2 — CID 119683142

IUPAC(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-11(2)9-14(18)17(22)20(5)10-15(21)19-16-12(3)7-6-8-13(16)4;/h6-8,11,14H,9-10,18H2,1-5H3,(H,19,21);1H/t14-;/m0./s1
InChIKeyCTCNUGOQTXLPTO-UQKRIMTDSA-N
MW341.88 g/mol
LogP2.50
Rot. Bonds6

About (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride (PubChem CID 119683142) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
PubChem CID119683142
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-11(2)9-14(18)17(22)20(5)10-15(21)19-16-12(3)7-6-8-13(16)4;/h6-8,11,14H,9-10,18H2,1-5H3,(H,19,21);1H/t14-;/m0./s1
InChIKeyCTCNUGOQTXLPTO-UQKRIMTDSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 119683115
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
2-amino-N,4-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 60947443
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119291384
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylhexa-2,4-dienamide
CID 78784454
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760037
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride (CID 119683142) is (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride is Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride?
The InChIKey is CTCNUGOQTXLPTO-UQKRIMTDSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-11(2)9-14(18)17(22)20(5)10-15(21)19-16-12(3)7-6-8-13(16)4;/h6-8,11,14H,9-10,18H2,1-5H3,(H,19,21);1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119683142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).