(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide

C22H22N2O4 — CID 6724234

IUPAC(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
SMILESCOc1cccc(NC(=O)[C@H](CO)NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O4/c1-28-18-10-5-9-17(13-18)23-22(27)20(14-25)24-21(26)12-16-8-4-7-15-6-2-3-11-19(15)16/h2-11,13,20,25H,12,14H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyDRZCQAQBMDSCKA-FQEVSTJZSA-N
MW378.43 g/mol
LogP2.51
Rot. Bonds7

About (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide

(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide (PubChem CID 6724234) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
PubChem CID6724234
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
SMILESCOc1cccc(NC(=O)[C@H](CO)NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O4/c1-28-18-10-5-9-17(13-18)23-22(27)20(14-25)24-21(26)12-16-8-4-7-15-6-2-3-11-19(15)16/h2-11,13,20,25H,12,14H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyDRZCQAQBMDSCKA-FQEVSTJZSA-N
XLogP2.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7999144
tert-butyl N-[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 22501705
N-[(2S)-3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724691
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
CID 9277768
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 8707182
N-[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
CID 4140068
2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086689
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide (CID 6724234) is (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide is COc1cccc(NC(=O)[C@H](CO)NC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The InChIKey is DRZCQAQBMDSCKA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-28-18-10-5-9-17(13-18)23-22(27)20(14-25)24-21(26)12-16-8-4-7-15-6-2-3-11-19(15)16/h2-11,13,20,25H,12,14H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide is sourced from PubChem (CID 6724234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).