2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide

C14H21N3O3 — CID 106233209

IUPAC2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NCCCCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-2-20-11-7-5-6-10(15)13(11)14(19)17-9-4-3-8-12(16)18/h5-7H,2-4,8-9,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyFRMZXBYRKWOGPS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds8

About 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide

2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide (PubChem CID 106233209) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
PubChem CID106233209
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NCCCCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-2-20-11-7-5-6-10(15)13(11)14(19)17-9-4-3-8-12(16)18/h5-7H,2-4,8-9,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyFRMZXBYRKWOGPS-UHFFFAOYSA-N
XLogP1.05
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.05
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

2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106006138
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332674
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide (CID 106233209) is 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)NCCCCC(N)=O.
What is the InChIKey of 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide?
The InChIKey is FRMZXBYRKWOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-11-7-5-6-10(15)13(11)14(19)17-9-4-3-8-12(16)18/h5-7H,2-4,8-9,15H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide?
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.05, 8 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)-6-ethoxybenzamide is sourced from PubChem (CID 106233209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).