3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide

C14H22N2O3 — CID 107316231

IUPAC3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NCCCCCO
InChIInChI=1S/C14H22N2O3/c1-2-19-13-11(7-6-8-12(13)15)14(18)16-9-4-3-5-10-17/h6-8,17H,2-5,9-10,15H2,1H3,(H,16,18)
InChIKeyBPESOWZUAKIKID-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds8

About 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide

3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide (PubChem CID 107316231) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
PubChem CID107316231
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NCCCCCO
InChIInChI=1S/C14H22N2O3/c1-2-19-13-11(7-6-8-12(13)15)14(18)16-9-4-3-5-10-17/h6-8,17H,2-5,9-10,15H2,1H3,(H,16,18)
InChIKeyBPESOWZUAKIKID-UHFFFAOYSA-N
XLogP1.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
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

3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
CID 107316301
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide
CID 106033436
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
2,3-diamino-N-hexadecylbenzamide
CID 68850287
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide (CID 107316231) is 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide is CCOc1c(N)cccc1C(=O)NCCCCCO.
What is the InChIKey of 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide?
The InChIKey is BPESOWZUAKIKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-13-11(7-6-8-12(13)15)14(18)16-9-4-3-5-10-17/h6-8,17H,2-5,9-10,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide?
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107316231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).