N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide

C17H21NO2 — CID 24622689

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO2/c1-4-12(2)17(19)18-11-13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-10,12H,4,11H2,1-3H3,(H,18,19)
InChIKeyFLEZCRAZPDUPRT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.51
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide

N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide (PubChem CID 24622689) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
PubChem CID24622689
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO2/c1-4-12(2)17(19)18-11-13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-10,12H,4,11H2,1-3H3,(H,18,19)
InChIKeyFLEZCRAZPDUPRT-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
4-bromo-N-[(2S)-1-[(6-methoxynaphthalen-2-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 41286103
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide (CID 24622689) is N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide is CCC(C)C(=O)NCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide?
The InChIKey is FLEZCRAZPDUPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-12(2)17(19)18-11-13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-10,12H,4,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide has a molecular weight of 271.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 24622689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).