N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide

C21H21N3O2 — CID 78871682

IUPACN-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N3O2/c1-22-20(25)17-9-7-15(8-10-17)14-24(2)21(26)23-19-12-11-16-5-3-4-6-18(16)13-19/h3-13H,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUOLRAGLICFMPPT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.86
Rot. Bonds4

About N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide

N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide (PubChem CID 78871682) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
PubChem CID78871682
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N3O2/c1-22-20(25)17-9-7-15(8-10-17)14-24(2)21(26)23-19-12-11-16-5-3-4-6-18(16)13-19/h3-13H,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUOLRAGLICFMPPT-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 27734618
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
CID 78871745
4-[[cyclopropyl-(2-naphthalen-2-ylacetyl)amino]methyl]-N-methylbenzamide
CID 33351222
4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679199
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
CID 24516597
5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
CID 49285325
1-methyl-3-naphthalen-2-ylurea
CID 3454681

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide (CID 78871682) is N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide?
The InChIKey is UOLRAGLICFMPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-22-20(25)17-9-7-15(8-10-17)14-24(2)21(26)23-19-12-11-16-5-3-4-6-18(16)13-19/h3-13H,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide?
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide is sourced from PubChem (CID 78871682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).