N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide

C18H20ClNO2 — CID 9218369

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-13-5-3-4-6-17(13)22-12-11-18(21)20-14(2)15-7-9-16(19)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyVPDYNOYZVYCEQD-AWEZNQCLSA-N
MW317.82 g/mol
LogP4.29
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide (PubChem CID 9218369) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
PubChem CID9218369
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-13-5-3-4-6-17(13)22-12-11-18(21)20-14(2)15-7-9-16(19)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyVPDYNOYZVYCEQD-AWEZNQCLSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide
CID 55338890
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139940
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide (CID 9218369) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is VPDYNOYZVYCEQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-5-3-4-6-17(13)22-12-11-18(21)20-14(2)15-7-9-16(19)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 9218369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).