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

C27H30N2O3 — CID 112804467

IUPAC2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(NC(c1ccc(OC)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-3-32-24-12-8-7-11-23(24)28-27(30)26(19-9-5-4-6-10-19)29-25(20-13-14-20)21-15-17-22(31-2)18-16-21/h4-12,15-18,20,25-26,29H,3,13-14H2,1-2H3,(H,28,30)
InChIKeyFKTRIJHZRPHGIY-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.51
Rot. Bonds10

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

2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 112804467) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID112804467
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(NC(c1ccc(OC)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-3-32-24-12-8-7-11-23(24)28-27(30)26(19-9-5-4-6-10-19)29-25(20-13-14-20)21-15-17-22(31-2)18-16-21/h4-12,15-18,20,25-26,29H,3,13-14H2,1-2H3,(H,28,30)
InChIKeyFKTRIJHZRPHGIY-UHFFFAOYSA-N
XLogP5.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
(2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(prop-2-ynylamino)acetamide
CID 9357615
(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
(2S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 2468553
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 8773922
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 112804467) is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(NC(c1ccc(OC)cc1)C1CC1)c1ccccc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is FKTRIJHZRPHGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-3-32-24-12-8-7-11-23(24)28-27(30)26(19-9-5-4-6-10-19)29-25(20-13-14-20)21-15-17-22(31-2)18-16-21/h4-12,15-18,20,25-26,29H,3,13-14H2,1-2H3,(H,28,30).
What are the key properties of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 430.55 g/mol, XLogP of 5.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 112804467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).