N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide

C13H16N2O2 — CID 25469630

IUPACN-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC1CC1
InChIInChI=1S/C13H16N2O2/c16-12(14-8-10-6-7-10)9-15-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,16)(H,15,17)
InChIKeyIIDCCJQAEBDKOS-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.94
Rot. Bonds5

About N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide

N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide (PubChem CID 25469630) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
PubChem CID25469630
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC1CC1
InChIInChI=1S/C13H16N2O2/c16-12(14-8-10-6-7-10)9-15-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,16)(H,15,17)
InChIKeyIIDCCJQAEBDKOS-UHFFFAOYSA-N
XLogP0.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-benzamidoacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 8022651
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 43050302
N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide
CID 110746088
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 134801187
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
tert-butyl N-[3-[4-[[(2-benzamidoacetyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919240
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide (CID 25469630) is N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is IIDCCJQAEBDKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(14-8-10-6-7-10)9-15-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide?
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 232.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 25469630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).