N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide

C18H22N2O3 — CID 18603775

IUPACN-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)NC(=O)[C@@H](N)CC(C)C)cc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-11(2)8-15(19)18(22)20-17(21)13-9-12-6-4-5-7-14(12)16(10-13)23-3/h4-7,9-11,15H,8,19H2,1-3H3,(H,20,21,22)/t15-/m0/s1
InChIKeyLEXCLHFUHSLBES-HNNXBMFYSA-N
MW314.38 g/mol
LogP2.48
Rot. Bonds5

About N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide

N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide (PubChem CID 18603775) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide
PubChem CID18603775
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)NC(=O)[C@@H](N)CC(C)C)cc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-11(2)8-15(19)18(22)20-17(21)13-9-12-6-4-5-7-14(12)16(10-13)23-3/h4-7,9-11,15H,8,19H2,1-3H3,(H,20,21,22)/t15-/m0/s1
InChIKeyLEXCLHFUHSLBES-HNNXBMFYSA-N
XLogP2.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[(4-methoxynaphthalene-2-carbonyl)amino]-3-oxopropyl] acetate
CID 124895844
N-[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]-4-methoxynaphthalene-2-carboxamide;dihydrochloride
CID 72943131
(3S)-3-amino-4-[(4-methoxynaphthalen-2-yl)amino]-4-oxobutanoic acid
CID 7021432
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
CID 4060966
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide (CID 18603775) is N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide is COc1cc(C(=O)NC(=O)[C@@H](N)CC(C)C)cc2ccccc12.
What is the InChIKey of N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide?
The InChIKey is LEXCLHFUHSLBES-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11(2)8-15(19)18(22)20-17(21)13-9-12-6-4-5-7-14(12)16(10-13)23-3/h4-7,9-11,15H,8,19H2,1-3H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide?
N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 18603775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).