N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide

C16H26N2O3 — CID 119498085

IUPACN-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCC(C)N)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-4-10-21-14-7-6-13(11-15(14)20-5-2)16(19)18-9-8-12(3)17/h6-7,11-12H,4-5,8-10,17H2,1-3H3,(H,18,19)
InChIKeyCKIUQBZSFOAUHL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.34
Rot. Bonds9

About N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide

N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide (PubChem CID 119498085) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
PubChem CID119498085
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCC(C)N)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-4-10-21-14-7-6-13(11-15(14)20-5-2)16(19)18-9-8-12(3)17/h6-7,11-12H,4-5,8-10,17H2,1-3H3,(H,18,19)
InChIKeyCKIUQBZSFOAUHL-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 119548952
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523428
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
CID 119528577

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide (CID 119498085) is N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCC(C)N)cc1OCC.
What is the InChIKey of N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide?
The InChIKey is CKIUQBZSFOAUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-10-21-14-7-6-13(11-15(14)20-5-2)16(19)18-9-8-12(3)17/h6-7,11-12H,4-5,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide?
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide has a molecular weight of 294.40 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 119498085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).