2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride

C17H26ClN3O2 — CID 119450919

IUPAC2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(C(=O)NC1CCNC1)C(C)C.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11(2)15(17(22)19-13-8-9-18-10-13)20-16(21)14-7-5-4-6-12(14)3;/h4-7,11,13,15,18H,8-10H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyOEWQVFNVEXJZTM-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.65
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride

2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride (PubChem CID 119450919) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride
PubChem CID119450919
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(C(=O)NC1CCNC1)C(C)C.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11(2)15(17(22)19-13-8-9-18-10-13)20-16(21)14-7-5-4-6-12(14)3;/h4-7,11,13,15,18H,8-10H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyOEWQVFNVEXJZTM-UHFFFAOYSA-N
XLogP1.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119456473
2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
CID 119386986
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 26006641
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119415508
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
CID 119454087
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119614272
N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119390043
2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 97346221
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 16600141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride?
The IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride (CID 119450919) is 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride is Cc1ccccc1C(=O)NC(C(=O)NC1CCNC1)C(C)C.Cl.
What is the InChIKey of 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride?
The InChIKey is OEWQVFNVEXJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-11(2)15(17(22)19-13-8-9-18-10-13)20-16(21)14-7-5-4-6-12(14)3;/h4-7,11,13,15,18H,8-10H2,1-3H3,(H,19,22)(H,20,21);1H.
What are the key properties of 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride?
2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119450919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).