3-(aminomethyl)-N-(3-formamidopropyl)benzamide

C12H17N3O2 — CID 82547191

IUPAC3-(aminomethyl)-N-(3-formamidopropyl)benzamide
SMILESNCc1cccc(C(=O)NCCCNC=O)c1
InChIInChI=1S/C12H17N3O2/c13-8-10-3-1-4-11(7-10)12(17)15-6-2-5-14-9-16/h1,3-4,7,9H,2,5-6,8,13H2,(H,14,16)(H,15,17)
InChIKeyRJHJRUQCDCILHJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.01
Rot. Bonds7

About 3-(aminomethyl)-N-(3-formamidopropyl)benzamide

3-(aminomethyl)-N-(3-formamidopropyl)benzamide (PubChem CID 82547191) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-formamidopropyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-formamidopropyl)benzamide
PubChem CID82547191
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(aminomethyl)-N-(3-formamidopropyl)benzamide
SMILESNCc1cccc(C(=O)NCCCNC=O)c1
InChIInChI=1S/C12H17N3O2/c13-8-10-3-1-4-11(7-10)12(17)15-6-2-5-14-9-16/h1,3-4,7,9H,2,5-6,8,13H2,(H,14,16)(H,15,17)
InChIKeyRJHJRUQCDCILHJ-UHFFFAOYSA-N
XLogP0.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486069
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
N-[3-[[4-(aminomethyl)benzoyl]amino]propyl]-3-nitrobenzamide
CID 82097424
N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
CID 106234962
3-[3-(aminomethyl)phenyl]-N-[3-[3-aminopropyl(methyl)amino]propyl]benzamide
CID 167839561
N-(3-formamidopropyl)furan-2-carboxamide
CID 110461151
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 115161194
3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
CID 115161199
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-formamidopropyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(3-formamidopropyl)benzamide (CID 82547191) is 3-(aminomethyl)-N-(3-formamidopropyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-formamidopropyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-formamidopropyl)benzamide is NCc1cccc(C(=O)NCCCNC=O)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-formamidopropyl)benzamide?
The InChIKey is RJHJRUQCDCILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-8-10-3-1-4-11(7-10)12(17)15-6-2-5-14-9-16/h1,3-4,7,9H,2,5-6,8,13H2,(H,14,16)(H,15,17).
What are the key properties of 3-(aminomethyl)-N-(3-formamidopropyl)benzamide?
3-(aminomethyl)-N-(3-formamidopropyl)benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-formamidopropyl)benzamide is sourced from PubChem (CID 82547191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).