N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide

C20H22N2O2 — CID 144887949

IUPACN-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CC(N)=O)Cc1cccc(C2CC2)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-2-3-8-18(14)20(24)22(13-19(21)23)12-15-6-4-7-17(11-15)16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H2,21,23)
InChIKeyQJMKCDJUCPSWML-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.00
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide

N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide (PubChem CID 144887949) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide
PubChem CID144887949
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CC(N)=O)Cc1cccc(C2CC2)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-2-3-8-18(14)20(24)22(13-19(21)23)12-15-6-4-7-17(11-15)16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H2,21,23)
InChIKeyQJMKCDJUCPSWML-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 144888125
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-cyclopropylphenyl)methyl]benzamide
CID 118246775
N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]benzamide
CID 144888072
2-amino-N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;benzene
CID 144888100
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
CID 79979589
methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate
CID 144888078
N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79984527
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide
CID 106683133
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide (CID 144887949) is N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)N(CC(N)=O)Cc1cccc(C2CC2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide?
The InChIKey is QJMKCDJUCPSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-5-2-3-8-18(14)20(24)22(13-19(21)23)12-15-6-4-7-17(11-15)16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H2,21,23).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide?
N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(3-cyclopropylphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 144887949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).