4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide

C14H19N3O2 — CID 115453093

IUPAC4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-16-12(18)11-4-2-10(3-5-11)8-17-13(19)14(9-15)6-7-14/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyUDNNWCNPHWJQDM-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.40
Rot. Bonds5

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

4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide (PubChem CID 115453093) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
PubChem CID115453093
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-16-12(18)11-4-2-10(3-5-11)8-17-13(19)14(9-15)6-7-14/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyUDNNWCNPHWJQDM-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
N-[2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]ethyl]-4-methylbenzamide
CID 115452960
4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
CID 120941429
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
CID 111114516
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide (CID 115453093) is 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)C2(CN)CC2)cc1.
What is the InChIKey of 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide?
The InChIKey is UDNNWCNPHWJQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-12(18)11-4-2-10(3-5-11)8-17-13(19)14(9-15)6-7-14/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide?
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 0.40, 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]methyl]-N-methylbenzamide is sourced from PubChem (CID 115453093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).