N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide

C26H22N2O3 — CID 169183116

IUPACN-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
SMILESO=C(CCNC(=O)c1cccc2ccccc12)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H22N2O3/c29-25(28-23-15-6-7-16-24(23)31-20-11-2-1-3-12-20)17-18-27-26(30)22-14-8-10-19-9-4-5-13-21(19)22/h1-16H,17-18H2,(H,27,30)(H,28,29)
InChIKeyWCQILNJOKXBDDA-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.39
Rot. Bonds7

About N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide

N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide (PubChem CID 169183116) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
PubChem CID169183116
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
SMILESO=C(CCNC(=O)c1cccc2ccccc12)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H22N2O3/c29-25(28-23-15-6-7-16-24(23)31-20-11-2-1-3-12-20)17-18-27-26(30)22-14-8-10-19-9-4-5-13-21(19)22/h1-16H,17-18H2,(H,27,30)(H,28,29)
InChIKeyWCQILNJOKXBDDA-UHFFFAOYSA-N
XLogP5.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(2-phenoxyanilino)ethyl]isoquinoline-8-carboxamide
CID 176939000
N-[2-oxo-2-(2-phenoxyanilino)ethyl]isoquinoline-4-carboxamide
CID 126718473
N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
CID 169183052
N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
CID 176939045
N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
CID 176939013
N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide
CID 169183122
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate
CID 52730821
N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 56573333
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide (CID 169183116) is N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide is O=C(CCNC(=O)c1cccc2ccccc12)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide?
The InChIKey is WCQILNJOKXBDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-25(28-23-15-6-7-16-24(23)31-20-11-2-1-3-12-20)17-18-27-26(30)22-14-8-10-19-9-4-5-13-21(19)22/h1-16H,17-18H2,(H,27,30)(H,28,29).
What are the key properties of N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide?
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 169183116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).