N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide

C22H23NO2 — CID 97428577

IUPACN-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
SMILESCC[C@](CNC(=O)c1cccc2ccccc12)(OC)c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-22(25-2,18-12-5-4-6-13-18)16-23-21(24)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,3,16H2,1-2H3,(H,23,24)/t22-/m1/s1
InChIKeyPZXUJHSIHPHZLF-JOCHJYFZSA-N
MW333.43 g/mol
LogP4.52
Rot. Bonds6

About N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide

N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide (PubChem CID 97428577) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
PubChem CID97428577
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
SMILESCC[C@](CNC(=O)c1cccc2ccccc12)(OC)c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-22(25-2,18-12-5-4-6-13-18)16-23-21(24)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,3,16H2,1-2H3,(H,23,24)/t22-/m1/s1
InChIKeyPZXUJHSIHPHZLF-JOCHJYFZSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532
N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
CID 90599483
2,4-dimethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599515
2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599502
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
CID 95367365
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide (CID 97428577) is N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide is CC[C@](CNC(=O)c1cccc2ccccc12)(OC)c1ccccc1.
What is the InChIKey of N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide?
The InChIKey is PZXUJHSIHPHZLF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-22(25-2,18-12-5-4-6-13-18)16-23-21(24)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,3,16H2,1-2H3,(H,23,24)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide?
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97428577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).