N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide

C21H20N2O2 — CID 161474898

IUPACN-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide
SMILESNc1ccc(C(=O)CCCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c22-19-11-9-16(10-12-19)20(24)6-3-13-23-21(25)18-8-7-15-4-1-2-5-17(15)14-18/h1-2,4-5,7-12,14H,3,6,13,22H2,(H,23,25)
InChIKeyWDOVEOJUFNUQMQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.81
Rot. Bonds6

About N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide

N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide (PubChem CID 161474898) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide
PubChem CID161474898
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide
SMILESNc1ccc(C(=O)CCCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c22-19-11-9-16(10-12-19)20(24)6-3-13-23-21(25)18-8-7-15-4-1-2-5-17(15)14-18/h1-2,4-5,7-12,14H,3,6,13,22H2,(H,23,25)
InChIKeyWDOVEOJUFNUQMQ-UHFFFAOYSA-N
XLogP3.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
2-[1-[4-[4-(naphthalene-2-carbonylamino)butanoyl]phenyl]piperidin-4-yl]acetic acid
CID 160631280
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
methyl 2-[4-[4-[4-(naphthalene-2-carbonylamino)butanoyl]phenyl]cyclohexyl]acetate
CID 147221966
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide (CID 161474898) is N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide is Nc1ccc(C(=O)CCCNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide?
The InChIKey is WDOVEOJUFNUQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-19-11-9-16(10-12-19)20(24)6-3-13-23-21(25)18-8-7-15-4-1-2-5-17(15)14-18/h1-2,4-5,7-12,14H,3,6,13,22H2,(H,23,25).
What are the key properties of N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide?
N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide is sourced from PubChem (CID 161474898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).