N-benzhydryl-2-naphthalen-1-yloxybutanamide

C27H25NO2 — CID 46763227

IUPACN-benzhydryl-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2/c1-2-24(30-25-19-11-17-20-12-9-10-18-23(20)25)27(29)28-26(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-19,24,26H,2H2,1H3,(H,28,29)
InChIKeyLPVQSBWMVPHWJO-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.90
Rot. Bonds7

About N-benzhydryl-2-naphthalen-1-yloxybutanamide

N-benzhydryl-2-naphthalen-1-yloxybutanamide (PubChem CID 46763227) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-benzhydryl-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-benzhydryl-2-naphthalen-1-yloxybutanamide
PubChem CID46763227
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC NameN-benzhydryl-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2/c1-2-24(30-25-19-11-17-20-12-9-10-18-23(20)25)27(29)28-26(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-19,24,26H,2H2,1H3,(H,28,29)
InChIKeyLPVQSBWMVPHWJO-UHFFFAOYSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide
CID 92681954
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
(2R)-N-(2,3-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 28633203
(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 93488233

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-benzhydryl-2-naphthalen-1-yloxybutanamide (CID 46763227) is N-benzhydryl-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-benzhydryl-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-benzhydryl-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-naphthalen-1-yloxybutanamide?
The InChIKey is LPVQSBWMVPHWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-2-24(30-25-19-11-17-20-12-9-10-18-23(20)25)27(29)28-26(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-19,24,26H,2H2,1H3,(H,28,29).
What are the key properties of N-benzhydryl-2-naphthalen-1-yloxybutanamide?
N-benzhydryl-2-naphthalen-1-yloxybutanamide has a molecular weight of 395.50 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 46763227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).