N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride

C17H26ClN3O2 — CID 119607470

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(NC(=O)C2CC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11(2)17(3,10-18)20-16(22)13-5-4-6-14(9-13)19-15(21)12-7-8-12;/h4-6,9,11-12H,7-8,10,18H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyHVRQIJBCYWIOJH-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.56
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride (PubChem CID 119607470) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
PubChem CID119607470
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(NC(=O)C2CC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11(2)17(3,10-18)20-16(22)13-5-4-6-14(9-13)19-15(21)12-7-8-12;/h4-6,9,11-12H,7-8,10,18H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyHVRQIJBCYWIOJH-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide
CID 119607471
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
CID 119199014
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283628
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119605990
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride (CID 119607470) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cccc(NC(=O)C2CC2)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The InChIKey is HVRQIJBCYWIOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-11(2)17(3,10-18)20-16(22)13-5-4-6-14(9-13)19-15(21)12-7-8-12;/h4-6,9,11-12H,7-8,10,18H2,1-3H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119607470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).