N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide

C22H23NO2 — CID 7935730

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C22H23NO2/c1-4-15(2)16-9-11-19(12-10-16)23-22(24)20-13-17-7-5-6-8-18(17)14-21(20)25-3/h5-15H,4H2,1-3H3,(H,23,24)/t15-/m1/s1
InChIKeyRBZGNMRYMWDLKH-OAHLLOKOSA-N
MW333.43 g/mol
LogP5.61
Rot. Bonds5

About N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide

N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 7935730) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID7935730
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C22H23NO2/c1-4-15(2)16-9-11-19(12-10-16)23-22(24)20-13-17-7-5-6-8-18(17)14-21(20)25-3/h5-15H,4H2,1-3H3,(H,23,24)/t15-/m1/s1
InChIKeyRBZGNMRYMWDLKH-OAHLLOKOSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
N-(4-butan-2-ylphenyl)-2-ethoxybenzamide
CID 2852282
N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 28873732
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766908
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
CID 26019445
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17439182
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide (CID 7935730) is N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide is CC[C@@H](C)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is RBZGNMRYMWDLKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-15(2)16-9-11-19(12-10-16)23-22(24)20-13-17-7-5-6-8-18(17)14-21(20)25-3/h5-15H,4H2,1-3H3,(H,23,24)/t15-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide?
N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 7935730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).