2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide

C29H28N2O3 — CID 11698145

IUPAC2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide
SMILESCCOc1ccc2cc(-c3ccc(NC(=O)C(CC)c4ccccc4)cc3C(N)=O)ccc2c1
InChIInChI=1S/C29H28N2O3/c1-3-25(19-8-6-5-7-9-19)29(33)31-23-13-15-26(27(18-23)28(30)32)22-11-10-21-17-24(34-4-2)14-12-20(21)16-22/h5-18,25H,3-4H2,1-2H3,(H2,30,32)(H,31,33)
InChIKeyVBZYXQIBZHOCKF-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.14
Rot. Bonds8

About 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide

2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide (PubChem CID 11698145) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide
PubChem CID11698145
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC Name2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide
SMILESCCOc1ccc2cc(-c3ccc(NC(=O)C(CC)c4ccccc4)cc3C(N)=O)ccc2c1
InChIInChI=1S/C29H28N2O3/c1-3-25(19-8-6-5-7-9-19)29(33)31-23-13-15-26(27(18-23)28(30)32)22-11-10-21-17-24(34-4-2)14-12-20(21)16-22/h5-18,25H,3-4H2,1-2H3,(H2,30,32)(H,31,33)
InChIKeyVBZYXQIBZHOCKF-UHFFFAOYSA-N
XLogP6.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-phenylbutanoylamino)benzamide
CID 42949295
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide?
The IUPAC name of 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide (CID 11698145) is 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide.
What is the SMILES notation for 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide?
The canonical SMILES for 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide is CCOc1ccc2cc(-c3ccc(NC(=O)C(CC)c4ccccc4)cc3C(N)=O)ccc2c1.
What is the InChIKey of 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide?
The InChIKey is VBZYXQIBZHOCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-3-25(19-8-6-5-7-9-19)29(33)31-23-13-15-26(27(18-23)28(30)32)22-11-10-21-17-24(34-4-2)14-12-20(21)16-22/h5-18,25H,3-4H2,1-2H3,(H2,30,32)(H,31,33).
What are the key properties of 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide?
2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide has a molecular weight of 452.55 g/mol, XLogP of 6.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide is sourced from PubChem (CID 11698145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).