N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide

C24H26N2O2 — CID 109023002

IUPACN-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H26N2O2/c1-2-26(19-20-11-5-3-6-12-20)24(27)17-18-25-22-15-9-10-16-23(22)28-21-13-7-4-8-14-21/h3-16,25H,2,17-19H2,1H3
InChIKeyKTROPLSYSUMHEE-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.33
Rot. Bonds9

About N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide

N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide (PubChem CID 109023002) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
PubChem CID109023002
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H26N2O2/c1-2-26(19-20-11-5-3-6-12-20)24(27)17-18-25-22-15-9-10-16-23(22)28-21-13-7-4-8-14-21/h3-16,25H,2,17-19H2,1H3
InChIKeyKTROPLSYSUMHEE-UHFFFAOYSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
3-(2-phenoxyanilino)-N-propylpropanamide
CID 109011455
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide (CID 109023002) is N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide is CCN(Cc1ccccc1)C(=O)CCNc1ccccc1Oc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide?
The InChIKey is KTROPLSYSUMHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-26(19-20-11-5-3-6-12-20)24(27)17-18-25-22-15-9-10-16-23(22)28-21-13-7-4-8-14-21/h3-16,25H,2,17-19H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide?
N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide has a molecular weight of 374.48 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide is sourced from PubChem (CID 109023002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).