2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride

C14H22ClN3O2 — CID 119778151

IUPAC2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CNc1ccccc1)C(N)=O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,3)12(13(15)19)17-11(18)9-16-10-7-5-4-6-8-10;/h4-8,12,16H,9H2,1-3H3,(H2,15,19)(H,17,18);1H
InChIKeyRFOFLMKMFOVCBC-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.54
Rot. Bonds5

About 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride

2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119778151) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119778151
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CNc1ccccc1)C(N)=O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,3)12(13(15)19)17-11(18)9-16-10-7-5-4-6-8-10;/h4-8,12,16H,9H2,1-3H3,(H2,15,19)(H,17,18);1H
InChIKeyRFOFLMKMFOVCBC-UHFFFAOYSA-N
XLogP1.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-anilinoacetyl)amino]-3-methylbutanamide
CID 113248506
2-[(2-anilinoacetyl)amino]propanamide
CID 22166450
(2R)-2-[(2-anilinoacetyl)amino]propanamide
CID 173385485
2-anilino-3,3-dimethylbutanamide
CID 61324562
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-anilinoacetic acid;hydrazine
CID 67393863
(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
CID 61161925
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115740490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride (CID 119778151) is 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)C(NC(=O)CNc1ccccc1)C(N)=O.Cl.
What is the InChIKey of 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is RFOFLMKMFOVCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-14(2,3)12(13(15)19)17-11(18)9-16-10-7-5-4-6-8-10;/h4-8,12,16H,9H2,1-3H3,(H2,15,19)(H,17,18);1H.
What are the key properties of 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride?
2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119778151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).