(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide

C22H30N2O2 — CID 40761080

IUPAC(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-6-26-21-10-8-7-9-20(21)23-22(25)17(4)24(5)15-18-11-13-19(14-12-18)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)/t17-/m0/s1
InChIKeyIRBBMKOYOGJWND-KRWDZBQOSA-N
MW354.49 g/mol
LogP4.67
Rot. Bonds8

About (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide

(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide (PubChem CID 40761080) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
PubChem CID40761080
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-6-26-21-10-8-7-9-20(21)23-22(25)17(4)24(5)15-18-11-13-19(14-12-18)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)/t17-/m0/s1
InChIKeyIRBBMKOYOGJWND-KRWDZBQOSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46801521
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 60517268
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
(2R)-N-(3-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494560
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide (CID 40761080) is (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide is CCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The InChIKey is IRBBMKOYOGJWND-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-6-26-21-10-8-7-9-20(21)23-22(25)17(4)24(5)15-18-11-13-19(14-12-18)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide has a molecular weight of 354.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 40761080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).