2-[(2-naphthalen-2-ylacetyl)amino]propanediamide

C15H15N3O3 — CID 134011808

IUPAC2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C15H15N3O3/c16-14(20)13(15(17)21)18-12(19)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,13H,8H2,(H2,16,20)(H2,17,21)(H,18,19)
InChIKeyJZFHCBDOHPYJER-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide

2-[(2-naphthalen-2-ylacetyl)amino]propanediamide (PubChem CID 134011808) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide.

Molecular Properties

Compound Name2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
PubChem CID134011808
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C15H15N3O3/c16-14(20)13(15(17)21)18-12(19)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,13H,8H2,(H2,16,20)(H2,17,21)(H,18,19)
InChIKeyJZFHCBDOHPYJER-UHFFFAOYSA-N
XLogP-0.16
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
2-[(2-phenylacetyl)amino]propanediamide
CID 122164047
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
3-amino-5-naphthalen-2-yl-4-oxopentanamide
CID 157121137
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527

Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide?
The IUPAC name of 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide (CID 134011808) is 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide.
What is the SMILES notation for 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide?
The canonical SMILES for 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide is NC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(N)=O.
What is the InChIKey of 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide?
The InChIKey is JZFHCBDOHPYJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14(20)13(15(17)21)18-12(19)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,13H,8H2,(H2,16,20)(H2,17,21)(H,18,19).
What are the key properties of 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide?
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide has a molecular weight of 285.30 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-2-ylacetyl)amino]propanediamide is sourced from PubChem (CID 134011808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).