N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide

C20H26N2O2 — CID 95296233

IUPACN-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CN[C@@H](C)c2ccccc2C)cc1
InChIInChI=1S/C20H26N2O2/c1-4-21-20(23)14-24-18-11-9-17(10-12-18)13-22-16(3)19-8-6-5-7-15(19)2/h5-12,16,22H,4,13-14H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyGGKHUTIOFBFTSC-INIZCTEOSA-N
MW326.44 g/mol
LogP3.36
Rot. Bonds8

About N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide

N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide (PubChem CID 95296233) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide
PubChem CID95296233
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CN[C@@H](C)c2ccccc2C)cc1
InChIInChI=1S/C20H26N2O2/c1-4-21-20(23)14-24-18-11-9-17(10-12-18)13-22-16(3)19-8-6-5-7-15(19)2/h5-12,16,22H,4,13-14H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyGGKHUTIOFBFTSC-INIZCTEOSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide
CID 56822891
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
CID 115524148
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
2-[4-[(4-phenylbutan-2-ylamino)methyl]phenoxy]acetic acid
CID 17211434
N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 51991185

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide (CID 95296233) is N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(CN[C@@H](C)c2ccccc2C)cc1.
What is the InChIKey of N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is GGKHUTIOFBFTSC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-21-20(23)14-24-18-11-9-17(10-12-18)13-22-16(3)19-8-6-5-7-15(19)2/h5-12,16,22H,4,13-14H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide?
N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 95296233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).