2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide

C13H19N3O3 — CID 106235860

IUPAC2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCC(N)=O)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-19-9-5-6-10(11(14)8-9)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNIRIWDNNVZOOKK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds7

About 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide

2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide (PubChem CID 106235860) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
PubChem CID106235860
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCC(N)=O)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-19-9-5-6-10(11(14)8-9)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNIRIWDNNVZOOKK-UHFFFAOYSA-N
XLogP0.66
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide (CID 106235860) is 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCCCC(N)=O)c(N)c1.
What is the InChIKey of 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide?
The InChIKey is NIRIWDNNVZOOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-9-5-6-10(11(14)8-9)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 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide?
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide is sourced from PubChem (CID 106235860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).