N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide

C17H21NO2 — CID 9497386

IUPACN-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N[C@@H](C)CC
InChIInChI=1S/C17H21NO2/c1-4-12(3)18-17(19)16-14-9-7-6-8-13(14)10-11-15(16)20-5-2/h6-12H,4-5H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyUTNJYMKQBXDQBH-LBPRGKRZSA-N
MW271.36 g/mol
LogP3.77
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide

N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 9497386) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID9497386
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N[C@@H](C)CC
InChIInChI=1S/C17H21NO2/c1-4-12(3)18-17(19)16-14-9-7-6-8-13(14)10-11-15(16)20-5-2/h6-12H,4-5H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyUTNJYMKQBXDQBH-LBPRGKRZSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
(2S)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]-4-sulfobutanoic acid
CID 89123836
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-butan-2-yl-3-methoxyquinoline-4-carboxamide
CID 110848533
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
methyl 4-(2-ethoxynaphthalen-1-yl)-4-oxobutanoate
CID 82550382
2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide
CID 17173537
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide (CID 9497386) is N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)N[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is UTNJYMKQBXDQBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-12(3)18-17(19)16-14-9-7-6-8-13(14)10-11-15(16)20-5-2/h6-12H,4-5H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide?
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 9497386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).