N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide

C21H25N3O2 — CID 118773363

IUPACN,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide
SMILESCc1cccc(C2(NC(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-14-7-5-8-16(13-14)21(11-12-21)23-20(26)22-18-10-6-9-17(15(18)2)19(25)24(3)4/h5-10,13H,11-12H2,1-4H3,(H2,22,23,26)
InChIKeyCINXFXHTYUSWNR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.82
Rot. Bonds4

About N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide

N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide (PubChem CID 118773363) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide
PubChem CID118773363
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide
SMILESCc1cccc(C2(NC(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-14-7-5-8-16(13-14)21(11-12-21)23-20(26)22-18-10-6-9-17(15(18)2)19(25)24(3)4/h5-10,13H,11-12H2,1-4H3,(H2,22,23,26)
InChIKeyCINXFXHTYUSWNR-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131897206
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea
CID 56825522
1-(2-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215331
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-N,N,2-trimethylbenzamide
CID 131902894
4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide
CID 138002353
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215332
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide?
The IUPAC name of N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide (CID 118773363) is N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide.
What is the SMILES notation for N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide?
The canonical SMILES for N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide is Cc1cccc(C2(NC(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)c1.
What is the InChIKey of N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide?
The InChIKey is CINXFXHTYUSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-7-5-8-16(13-14)21(11-12-21)23-20(26)22-18-10-6-9-17(15(18)2)19(25)24(3)4/h5-10,13H,11-12H2,1-4H3,(H2,22,23,26).
What are the key properties of N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide?
N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide is sourced from PubChem (CID 118773363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).