2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide

C18H23N3O2 — CID 145301139

IUPAC2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide
SMILESCCCC(C)C(=O)Nc1cccc2c(NC(=O)NC)cccc12
InChIInChI=1S/C18H23N3O2/c1-4-7-12(2)17(22)20-15-10-5-9-14-13(15)8-6-11-16(14)21-18(23)19-3/h5-6,8-12H,4,7H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyVEOWNFOZCPEGJQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.97
Rot. Bonds5

About 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide

2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide (PubChem CID 145301139) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide
PubChem CID145301139
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide
SMILESCCCC(C)C(=O)Nc1cccc2c(NC(=O)NC)cccc12
InChIInChI=1S/C18H23N3O2/c1-4-7-12(2)17(22)20-15-10-5-9-14-13(15)8-6-11-16(14)21-18(23)19-3/h5-6,8-12H,4,7H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyVEOWNFOZCPEGJQ-UHFFFAOYSA-N
XLogP3.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 62726815
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
N-[3-(chloromethyl)-2-propan-2-ylphenyl]-2-methylpentanamide
CID 166682257
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
N-(2-cyano-3-methylphenyl)-2-methylpentanamide
CID 113241611
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
CID 25250136
2-methyl-N-phenylpentanamide
CID 4627801
(2S)-2-[2-[[(2R)-2-methylpentanoyl]amino]phenyl]sulfanylpentanoic acid
CID 40803024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide?
The IUPAC name of 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide (CID 145301139) is 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide.
What is the SMILES notation for 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide?
The canonical SMILES for 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide is CCCC(C)C(=O)Nc1cccc2c(NC(=O)NC)cccc12.
What is the InChIKey of 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide?
The InChIKey is VEOWNFOZCPEGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-7-12(2)17(22)20-15-10-5-9-14-13(15)8-6-11-16(14)21-18(23)19-3/h5-6,8-12H,4,7H2,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide?
2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide has a molecular weight of 313.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide is sourced from PubChem (CID 145301139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).