3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide

C19H22N2O3 — CID 122195499

IUPAC3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-13(15-8-5-4-6-9-15)20-18(22)14(2)21-19(23)16-10-7-11-17(12-16)24-3/h4-14H,1-3H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1
InChIKeyAQVIMQFROIMLTH-KBPBESRZSA-N
MW326.40 g/mol
LogP2.69
Rot. Bonds6

About 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide

3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide (PubChem CID 122195499) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
PubChem CID122195499
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-13(15-8-5-4-6-9-15)20-18(22)14(2)21-19(23)16-10-7-11-17(12-16)24-3/h4-14H,1-3H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1
InChIKeyAQVIMQFROIMLTH-KBPBESRZSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
CID 70703950
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 86995853
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide (CID 122195499) is 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide is COc1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The InChIKey is AQVIMQFROIMLTH-KBPBESRZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(15-8-5-4-6-9-15)20-18(22)14(2)21-19(23)16-10-7-11-17(12-16)24-3/h4-14H,1-3H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 122195499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).