3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide

C14H19N3O2 — CID 119734803

IUPAC3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H19N3O2/c1-2-16-12(18)11-5-3-4-10(8-11)9-17-13(19)14(15)6-7-14/h3-5,8H,2,6-7,9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyJURYTOSPIYQHJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.54
Rot. Bonds5

About 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide

3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide (PubChem CID 119734803) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
PubChem CID119734803
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H19N3O2/c1-2-16-12(18)11-5-3-4-10(8-11)9-17-13(19)14(15)6-7-14/h3-5,8H,2,6-7,9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyJURYTOSPIYQHJV-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide (CID 119734803) is 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNC(=O)C2(N)CC2)c1.
What is the InChIKey of 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide?
The InChIKey is JURYTOSPIYQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-16-12(18)11-5-3-4-10(8-11)9-17-13(19)14(15)6-7-14/h3-5,8H,2,6-7,9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide?
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 119734803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).