N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide

C28H33N3O4 — CID 54399309

IUPACN-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide
SMILESCC(C)(NC(=O)Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)C(=O)NC[C@H](O)CN
InChIInChI=1S/C28H33N3O4/c1-28(2,31-25(33)16-19-8-4-3-5-9-19)26(34)24(27(35)30-18-23(32)17-29)15-20-12-13-21-10-6-7-11-22(21)14-20/h3-14,23-24,32H,15-18,29H2,1-2H3,(H,30,35)(H,31,33)/t23-,24?/m1/s1
InChIKeyVMGNMTPHJRJRSZ-MIHMCVIASA-N
MW475.59 g/mol
LogP2.14
Rot. Bonds11

About N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide

N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide (PubChem CID 54399309) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide
PubChem CID54399309
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide
SMILESCC(C)(NC(=O)Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)C(=O)NC[C@H](O)CN
InChIInChI=1S/C28H33N3O4/c1-28(2,31-25(33)16-19-8-4-3-5-9-19)26(34)24(27(35)30-18-23(32)17-29)15-20-12-13-21-10-6-7-11-22(21)14-20/h3-14,23-24,32H,15-18,29H2,1-2H3,(H,30,35)(H,31,33)/t23-,24?/m1/s1
InChIKeyVMGNMTPHJRJRSZ-MIHMCVIASA-N
XLogP2.14
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide
CID 22219222
N-[1-[[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-propylpentanamide
CID 58590593
2-[3-[acetyl(benzyl)amino]propanoylamino]-N-(3-amino-2-hydroxypropyl)-3-naphthalen-2-ylpropanamide
CID 21021340
(2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 11627313
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-(1-amino-2,4-dimethylpentan-2-yl)-2-naphthalen-2-ylacetamide;hydrochloride
CID 119597467
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
N-(4-amino-2,2-dimethylbutyl)-2-naphthalen-2-ylacetamide
CID 106139776
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide?
The IUPAC name of N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide (CID 54399309) is N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide.
What is the SMILES notation for N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide?
The canonical SMILES for N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide is CC(C)(NC(=O)Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)C(=O)NC[C@H](O)CN.
What is the InChIKey of N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide?
The InChIKey is VMGNMTPHJRJRSZ-MIHMCVIASA-N. The full InChI is InChI=1S/C28H33N3O4/c1-28(2,31-25(33)16-19-8-4-3-5-9-19)26(34)24(27(35)30-18-23(32)17-29)15-20-12-13-21-10-6-7-11-22(21)14-20/h3-14,23-24,32H,15-18,29H2,1-2H3,(H,30,35)(H,31,33)/t23-,24?/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide?
N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide has a molecular weight of 475.59 g/mol, XLogP of 2.14, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide is sourced from PubChem (CID 54399309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).