N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide

C18H21NO3 — CID 878876

IUPACN-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc([C@@H](NC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-17-11-7-15(8-12-17)18(19-13(2)20)14-5-9-16(21-3)10-6-14/h5-12,18H,4H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyDURDMDBKLKPEDR-SFHVURJKSA-N
MW299.37 g/mol
LogP3.32
Rot. Bonds6

About N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide

N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide (PubChem CID 878876) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
PubChem CID878876
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc([C@@H](NC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-17-11-7-15(8-12-17)18(19-13(2)20)14-5-9-16(21-3)10-6-14/h5-12,18H,4H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyDURDMDBKLKPEDR-SFHVURJKSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878875
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110
N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide
CID 3767206
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide
CID 878899
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8509675
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
CID 6921315
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide (CID 878876) is N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide is CCOc1ccc([C@@H](NC(C)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is DURDMDBKLKPEDR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-22-17-11-7-15(8-12-17)18(19-13(2)20)14-5-9-16(21-3)10-6-14/h5-12,18H,4H2,1-3H3,(H,19,20)/t18-/m0/s1.
What are the key properties of N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide?
N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 878876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).