4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide

C13H19N3O2 — CID 106233185

IUPAC4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCCC(N)=O)ccc1N
InChIInChI=1S/C13H19N3O2/c1-9-8-10(5-6-11(9)14)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyWMMAQUZRBAVLSA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds6

About 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide

4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide (PubChem CID 106233185) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
PubChem CID106233185
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCCC(N)=O)ccc1N
InChIInChI=1S/C13H19N3O2/c1-9-8-10(5-6-11(9)14)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyWMMAQUZRBAVLSA-UHFFFAOYSA-N
XLogP0.96
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-4-bromo-3-methylbenzamide
CID 103896326
4-amino-3-methyl-N-octylbenzamide
CID 115565914
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
tert-butyl N-[3-[(4-amino-3-methylbenzoyl)amino]propyl]carbamate
CID 104932611
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 61248489
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbenzamide
CID 83109029
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide (CID 106233185) is 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide is Cc1cc(C(=O)NCCCCC(N)=O)ccc1N.
What is the InChIKey of 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide?
The InChIKey is WMMAQUZRBAVLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-10(5-6-11(9)14)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide?
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide is sourced from PubChem (CID 106233185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).