N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide

C21H20N2O2 — CID 8964487

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-22-20(24)17-9-7-15(8-10-17)14-23(2)21(25)19-12-11-16-5-3-4-6-18(16)13-19/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeySWADFBOQJYJRMR-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.47
Rot. Bonds4

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide (PubChem CID 8964487) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
PubChem CID8964487
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-22-20(24)17-9-7-15(8-10-17)14-23(2)21(25)19-12-11-16-5-3-4-6-18(16)13-19/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeySWADFBOQJYJRMR-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-9H-fluorene-2-carboxamide
CID 38741293
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 8967371
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
4-[[cyclopropyl-(2-naphthalen-2-ylacetyl)amino]methyl]-N-methylbenzamide
CID 33351222
N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
CID 24596146
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
3-(benzenesulfonamido)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38745291
N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-nitrobenzamide
CID 8964575

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide (CID 8964487) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
The InChIKey is SWADFBOQJYJRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-22-20(24)17-9-7-15(8-10-17)14-23(2)21(25)19-12-11-16-5-3-4-6-18(16)13-19/h3-13H,14H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 8964487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).