(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide

C19H21NO3 — CID 7788153

IUPAC(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO3/c1-4-18(21)15-8-10-17(11-9-15)23-14(3)19(22)20-16-7-5-6-13(2)12-16/h5-12,14H,4H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeySYDHFDDPFPMHBP-AWEZNQCLSA-N
MW311.38 g/mol
LogP3.99
Rot. Bonds6

About (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide

(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide (PubChem CID 7788153) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
PubChem CID7788153
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO3/c1-4-18(21)15-8-10-17(11-9-15)23-14(3)19(22)20-16-7-5-6-13(2)12-16/h5-12,14H,4H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeySYDHFDDPFPMHBP-AWEZNQCLSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7855094
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide (CID 7788153) is (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide is CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide?
The InChIKey is SYDHFDDPFPMHBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-18(21)15-8-10-17(11-9-15)23-14(3)19(22)20-16-7-5-6-13(2)12-16/h5-12,14H,4H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide?
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide is sourced from PubChem (CID 7788153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).