N-(naphthalen-1-ylmethyl)-4-oxopentanamide

C16H17NO2 — CID 62063999

IUPACN-(naphthalen-1-ylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C16H17NO2/c1-12(18)9-10-16(19)17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8H,9-11H2,1H3,(H,17,19)
InChIKeyPGRKFGDMUKFEGN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-4-oxopentanamide

N-(naphthalen-1-ylmethyl)-4-oxopentanamide (PubChem CID 62063999) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-oxopentanamide
PubChem CID62063999
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(naphthalen-1-ylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C16H17NO2/c1-12(18)9-10-16(19)17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8H,9-11H2,1H3,(H,17,19)
InChIKeyPGRKFGDMUKFEGN-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293
3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
CID 62369453
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-oxopentanamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-oxopentanamide (CID 62063999) is N-(naphthalen-1-ylmethyl)-4-oxopentanamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-oxopentanamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-oxopentanamide is CC(=O)CCC(=O)NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-oxopentanamide?
The InChIKey is PGRKFGDMUKFEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(18)9-10-16(19)17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8H,9-11H2,1H3,(H,17,19).
What are the key properties of N-(naphthalen-1-ylmethyl)-4-oxopentanamide?
N-(naphthalen-1-ylmethyl)-4-oxopentanamide has a molecular weight of 255.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-oxopentanamide is sourced from PubChem (CID 62063999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).