3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide

C13H20N2O3 — CID 81091443

IUPAC3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C13H20N2O3/c1-3-18-12-7-10(6-11(14)8-12)13(17)15-5-4-9(2)16/h6-9,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyHGFSPWKQDOHAMY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds6

About 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide

3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide (PubChem CID 81091443) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
PubChem CID81091443
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C13H20N2O3/c1-3-18-12-7-10(6-11(14)8-12)13(17)15-5-4-9(2)16/h6-9,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyHGFSPWKQDOHAMY-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
2-hydroxypropyl 3-amino-5-ethoxybenzoate
CID 81092070
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 81089888
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide (CID 81091443) is 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide is CCOc1cc(N)cc(C(=O)NCCC(C)O)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide?
The InChIKey is HGFSPWKQDOHAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-12-7-10(6-11(14)8-12)13(17)15-5-4-9(2)16/h6-9,16H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide?
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide is sourced from PubChem (CID 81091443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).