N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide

C21H21NO2 — CID 60534076

IUPACN-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-3-13-24-20-14-15(2)11-12-19(20)22-21(23)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,14H,3,13H2,1-2H3,(H,22,23)
InChIKeyNWYGRXXBHDLSDQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.19
Rot. Bonds5

About N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide

N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide (PubChem CID 60534076) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
PubChem CID60534076
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-3-13-24-20-14-15(2)11-12-19(20)22-21(23)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,14H,3,13H2,1-2H3,(H,22,23)
InChIKeyNWYGRXXBHDLSDQ-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
CID 62233815
N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
CID 43259068
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
2,5-dimethyl-N-(2-propoxyphenyl)benzamide
CID 78772580
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
2-chloro-N-(4-methyl-2-propoxyphenyl)furan-3-carboxamide
CID 106685527
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide (CID 60534076) is N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide is CCCOc1cc(C)ccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide?
The InChIKey is NWYGRXXBHDLSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-3-13-24-20-14-15(2)11-12-19(20)22-21(23)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,14H,3,13H2,1-2H3,(H,22,23).
What are the key properties of N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide?
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 60534076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).