3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide

C13H17N3O2 — CID 115453144

IUPAC3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNCC1(C(=O)NCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C13H17N3O2/c14-8-13(4-5-13)12(18)16-7-9-2-1-3-10(6-9)11(15)17/h1-3,6H,4-5,7-8,14H2,(H2,15,17)(H,16,18)
InChIKeyLHIPJVMECGOEOD-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.14
Rot. Bonds5

About 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide

3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 115453144) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID115453144
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNCC1(C(=O)NCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C13H17N3O2/c14-8-13(4-5-13)12(18)16-7-9-2-1-3-10(6-9)11(15)17/h1-3,6H,4-5,7-8,14H2,(H2,15,17)(H,16,18)
InChIKeyLHIPJVMECGOEOD-UHFFFAOYSA-N
XLogP0.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115453168
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
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CID 119705750
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 154739738
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
CID 82767506
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide (CID 115453144) is 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide is NCC1(C(=O)NCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is LHIPJVMECGOEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-8-13(4-5-13)12(18)16-7-9-2-1-3-10(6-9)11(15)17/h1-3,6H,4-5,7-8,14H2,(H2,15,17)(H,16,18).
What are the key properties of 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide?
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 115453144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).