N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

C16H21NO2 — CID 110677779

IUPACN-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)c2ccccc2C1
InChIInChI=1S/C16H21NO2/c1-11(2)7-8-17-16(19)13-9-12-5-3-4-6-14(12)15(18)10-13/h3-6,11,13H,7-10H2,1-2H3,(H,17,19)
InChIKeyARTODOHPMDQPCU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds4

About N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 110677779) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
PubChem CID110677779
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)c2ccccc2C1
InChIInChI=1S/C16H21NO2/c1-11(2)7-8-17-16(19)13-9-12-5-3-4-6-14(12)15(18)10-13/h3-6,11,13H,7-10H2,1-2H3,(H,17,19)
InChIKeyARTODOHPMDQPCU-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677744
4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677737
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 114151389
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106243560
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 109149020
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 22074447

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (CID 110677779) is N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is CC(C)CCNC(=O)C1CC(=O)c2ccccc2C1.
What is the InChIKey of N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is ARTODOHPMDQPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(2)7-8-17-16(19)13-9-12-5-3-4-6-14(12)15(18)10-13/h3-6,11,13H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 110677779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).