(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

C20H26N2O2 — CID 27123609

IUPAC(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-16-9-7-8-12-19(16)24-14-13-22(3)17(2)20(23)21-15-18-10-5-4-6-11-18/h4-12,17H,13-15H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyQFGLQMGLZRPRNP-KRWDZBQOSA-N
MW326.44 g/mol
LogP3.01
Rot. Bonds8

About (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (PubChem CID 27123609) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
PubChem CID27123609
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-16-9-7-8-12-19(16)24-14-13-22(3)17(2)20(23)21-15-18-10-5-4-6-11-18/h4-12,17H,13-15H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyQFGLQMGLZRPRNP-KRWDZBQOSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651
N-(2,5-dimethoxyphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 46630124
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 18094775
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
N-[(2-chlorophenyl)methyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 18094687
3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 87007539
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (CID 27123609) is (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is Cc1ccccc1OCCN(C)[C@@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The InChIKey is QFGLQMGLZRPRNP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-9-7-8-12-19(16)24-14-13-22(3)17(2)20(23)21-15-18-10-5-4-6-11-18/h4-12,17H,13-15H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is sourced from PubChem (CID 27123609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).