N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C17H23N3O2 — CID 119616196

IUPACN-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C17H23N3O2/c1-10-7-14(10)17(22)19-13-4-2-3-12(8-13)16(21)20-15(9-18)11-5-6-11/h2-4,8,10-11,14-15H,5-7,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyJWRVASZLBPNOJR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.75
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 119616196) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID119616196
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C17H23N3O2/c1-10-7-14(10)17(22)19-13-4-2-3-12(8-13)16(21)20-15(9-18)11-5-6-11/h2-4,8,10-11,14-15H,5-7,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyJWRVASZLBPNOJR-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119667522
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119591586
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 119616196) is N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NC(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is JWRVASZLBPNOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10-7-14(10)17(22)19-13-4-2-3-12(8-13)16(21)20-15(9-18)11-5-6-11/h2-4,8,10-11,14-15H,5-7,9,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 119616196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).