4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

C14H19N3O2 — CID 115452592

IUPAC4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-2-16-12(18)10-3-5-11(6-4-10)17-13(19)14(9-15)7-8-14/h3-6H,2,7-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyZEXWKENIEZPJFP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.11
Rot. Bonds5

About 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (PubChem CID 115452592) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
PubChem CID115452592
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-2-16-12(18)10-3-5-11(6-4-10)17-13(19)14(9-15)7-8-14/h3-6H,2,7-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyZEXWKENIEZPJFP-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide 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

4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
CID 119740942
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
4-(aminomethyl)-N-[4-(prop-2-enylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926631
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
CID 115453529
N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 63131115
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452621
N-[2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]ethyl]-4-methylbenzamide
CID 115452960

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (CID 115452592) is 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)C2(CN)CC2)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The InChIKey is ZEXWKENIEZPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-16-12(18)10-3-5-11(6-4-10)17-13(19)14(9-15)7-8-14/h3-6H,2,7-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 115452592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).