5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide

C14H19N3O2 — CID 119808581

IUPAC5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
SMILESCc1ccc(NC(=O)C2(N)CC2)cc1C(=O)N(C)C
InChIInChI=1S/C14H19N3O2/c1-9-4-5-10(8-11(9)12(18)17(2)3)16-13(19)14(15)6-7-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyNNNZFSLBDKFTHV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds3

About 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide

5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide (PubChem CID 119808581) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
PubChem CID119808581
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
SMILESCc1ccc(NC(=O)C2(N)CC2)cc1C(=O)N(C)C
InChIInChI=1S/C14H19N3O2/c1-9-4-5-10(8-11(9)12(18)17(2)3)16-13(19)14(15)6-7-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyNNNZFSLBDKFTHV-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321734
5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
CID 81171897
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide?
The IUPAC name of 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide (CID 119808581) is 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide?
The canonical SMILES for 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide is Cc1ccc(NC(=O)C2(N)CC2)cc1C(=O)N(C)C.
What is the InChIKey of 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide?
The InChIKey is NNNZFSLBDKFTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-4-5-10(8-11(9)12(18)17(2)3)16-13(19)14(15)6-7-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,19).
What are the key properties of 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide?
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 119808581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).