2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide

C19H22N2O3 — CID 40976571

IUPAC2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)18(22)20-15-9-11-16(12-10-15)21-19(23)14(3)24-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyVVYXSXIAEJUPJR-AWEZNQCLSA-N
MW326.40 g/mol
LogP3.69
Rot. Bonds6

About 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide

2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide (PubChem CID 40976571) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
PubChem CID40976571
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)18(22)20-15-9-11-16(12-10-15)21-19(23)14(3)24-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyVVYXSXIAEJUPJR-AWEZNQCLSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
(2R)-2-phenoxy-N-[4-[4-[[(2R)-2-phenoxypropanoyl]amino]phenyl]sulfinylphenyl]propanamide
CID 1352725
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide (CID 40976571) is 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide?
The InChIKey is VVYXSXIAEJUPJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)18(22)20-15-9-11-16(12-10-15)21-19(23)14(3)24-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide is sourced from PubChem (CID 40976571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).