N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide

C22H22N2O2 — CID 33026876

IUPACN-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O2/c1-15(2)13-21(25)23-19-9-11-20(12-10-19)24-22(26)18-8-7-16-5-3-4-6-17(16)14-18/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySKJPZEGMWFOGEF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.08
Rot. Bonds5

About N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide

N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide (PubChem CID 33026876) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
PubChem CID33026876
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O2/c1-15(2)13-21(25)23-19-9-11-20(12-10-19)24-22(26)18-8-7-16-5-3-4-6-17(16)14-18/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySKJPZEGMWFOGEF-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
3-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17194072
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide (CID 33026876) is N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide?
The InChIKey is SKJPZEGMWFOGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(2)13-21(25)23-19-9-11-20(12-10-19)24-22(26)18-8-7-16-5-3-4-6-17(16)14-18/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide?
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 33026876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).