4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide

C20H22N2O4 — CID 38252727

IUPAC4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1OCC(N)=O
InChIInChI=1S/C20H22N2O4/c1-25-18-11-15(7-10-17(18)26-13-19(21)23)20(24)22(16-8-9-16)12-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3,(H2,21,23)
InChIKeyXDHLJJQZFHJWLT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.36
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide (PubChem CID 38252727) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
PubChem CID38252727
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1OCC(N)=O
InChIInChI=1S/C20H22N2O4/c1-25-18-11-15(7-10-17(18)26-13-19(21)23)20(24)22(16-8-9-16)12-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3,(H2,21,23)
InChIKeyXDHLJJQZFHJWLT-UHFFFAOYSA-N
XLogP2.36
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
CID 22778466
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexylbenzamide
CID 22779363
N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416
2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119180543

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide (CID 38252727) is 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide is COc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide?
The InChIKey is XDHLJJQZFHJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-18-11-15(7-10-17(18)26-13-19(21)23)20(24)22(16-8-9-16)12-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3,(H2,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide is sourced from PubChem (CID 38252727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).