N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide

C22H23N3O2 — CID 55816812

IUPACN,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)N(C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-24(2)21(26)17-10-7-12-19(14-17)23-22(27)25(3)15-18-11-6-9-16-8-4-5-13-20(16)18/h4-14H,15H2,1-3H3,(H,23,27)
InChIKeyMTOPOKHNORKPGV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.21
Rot. Bonds4

About N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide

N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide (PubChem CID 55816812) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
PubChem CID55816812
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)N(C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-24(2)21(26)17-10-7-12-19(14-17)23-22(27)25(3)15-18-11-6-9-16-8-4-5-13-20(16)18/h4-14H,15H2,1-3H3,(H,23,27)
InChIKeyMTOPOKHNORKPGV-UHFFFAOYSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 55698318
N-[2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51118769
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 71865083
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 119073868
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
N,N-dimethyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17231499
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide (CID 55816812) is N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2cccc3ccccc23)c1.
What is the InChIKey of N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide?
The InChIKey is MTOPOKHNORKPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24(2)21(26)17-10-7-12-19(14-17)23-22(27)25(3)15-18-11-6-9-16-8-4-5-13-20(16)18/h4-14H,15H2,1-3H3,(H,23,27).
What are the key properties of N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide?
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 55816812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).