4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide

C21H22N2O3 — CID 9441784

IUPAC4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H22N2O3/c22-21(26)15-7-9-18(10-8-15)23-20(25)12-11-19(24)17-6-5-14-3-1-2-4-16(14)13-17/h5-10,13H,1-4,11-12H2,(H2,22,26)(H,23,25)
InChIKeyCIMPENIIKKTIPH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.27
Rot. Bonds6

About 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide

4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide (PubChem CID 9441784) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
PubChem CID9441784
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H22N2O3/c22-21(26)15-7-9-18(10-8-15)23-20(25)12-11-19(24)17-6-5-14-3-1-2-4-16(14)13-17/h5-10,13H,1-4,11-12H2,(H2,22,26)(H,23,25)
InChIKeyCIMPENIIKKTIPH-UHFFFAOYSA-N
XLogP3.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
N-(3,5-dichloro-4-hydroxyphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807181
N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119515209
methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
CID 55709002
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 51116933
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 120566684
4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 38467775

Frequently Asked Questions

What is the IUPAC name of 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide?
The IUPAC name of 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide (CID 9441784) is 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide?
The canonical SMILES for 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide?
The InChIKey is CIMPENIIKKTIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c22-21(26)15-7-9-18(10-8-15)23-20(25)12-11-19(24)17-6-5-14-3-1-2-4-16(14)13-17/h5-10,13H,1-4,11-12H2,(H2,22,26)(H,23,25).
What are the key properties of 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide?
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide is sourced from PubChem (CID 9441784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).