N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide

C21H26N2O2 — CID 46823044

IUPACN-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
SMILESCCOc1ccc(CN(C)C(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-25-19-13-9-16(10-14-19)15-23(2)20(17-7-5-4-6-8-17)21(24)22-18-11-12-18/h4-10,13-14,18,20H,3,11-12,15H2,1-2H3,(H,22,24)
InChIKeyFHFUDPHDQOGRMI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.54
Rot. Bonds8

About N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide

N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide (PubChem CID 46823044) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
PubChem CID46823044
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
SMILESCCOc1ccc(CN(C)C(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-25-19-13-9-16(10-14-19)15-23(2)20(17-7-5-4-6-8-17)21(24)22-18-11-12-18/h4-10,13-14,18,20H,3,11-12,15H2,1-2H3,(H,22,24)
InChIKeyFHFUDPHDQOGRMI-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
CID 17498608
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 24594082
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
CID 56546435
(2R)-N-cyclopropyl-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-phenylacetamide
CID 8916196
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-hexoxyphenyl)acetamide
CID 86810164
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8601135

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide (CID 46823044) is N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide is CCOc1ccc(CN(C)C(C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide?
The InChIKey is FHFUDPHDQOGRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-25-19-13-9-16(10-14-19)15-23(2)20(17-7-5-4-6-8-17)21(24)22-18-11-12-18/h4-10,13-14,18,20H,3,11-12,15H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide?
N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide is sourced from PubChem (CID 46823044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).