3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide

C16H22N2O2 — CID 96559788

IUPAC3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide
SMILESCCC[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C16H22N2O2/c1-3-5-12-9-14(12)16(20)18(2)10-11-6-4-7-13(8-11)15(17)19/h4,6-8,12,14H,3,5,9-10H2,1-2H3,(H2,17,19)/t12-,14-/m1/s1
InChIKeyNPQVBXBTJWVGLK-TZMCWYRMSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds6

About 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide

3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 96559788) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID96559788
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide
SMILESCCC[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C16H22N2O2/c1-3-5-12-9-14(12)16(20)18(2)10-11-6-4-7-13(8-11)15(17)19/h4,6-8,12,14H,3,5,9-10H2,1-2H3,(H2,17,19)/t12-,14-/m1/s1
InChIKeyNPQVBXBTJWVGLK-TZMCWYRMSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 55141357
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[(dipropylamino)methyl]benzamide
CID 82041313
N-[(3-carbamothioylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 62967037
3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
CID 97022014
3-[[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
CID 97022015
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
N-[(3-carbamothioylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 55141744
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
CID 95614937
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
CID 119933024

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide (CID 96559788) is 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide is CCC[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is NPQVBXBTJWVGLK-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-5-12-9-14(12)16(20)18(2)10-11-6-4-7-13(8-11)15(17)19/h4,6-8,12,14H,3,5,9-10H2,1-2H3,(H2,17,19)/t12-,14-/m1/s1.
What are the key properties of 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide?
3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 96559788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).