N-(3-aminobutyl)-2-ethoxybenzamide

C13H20N2O2 — CID 63253543

IUPACN-(3-aminobutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCC(C)N
InChIInChI=1S/C13H20N2O2/c1-3-17-12-7-5-4-6-11(12)13(16)15-9-8-10(2)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyNSBDCXRBELSCSI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds6

About N-(3-aminobutyl)-2-ethoxybenzamide

N-(3-aminobutyl)-2-ethoxybenzamide (PubChem CID 63253543) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-ethoxybenzamide
PubChem CID63253543
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(3-aminobutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCC(C)N
InChIInChI=1S/C13H20N2O2/c1-3-17-12-7-5-4-6-11(12)13(16)15-9-8-10(2)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyNSBDCXRBELSCSI-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954
N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
CID 106245092
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-ethoxybenzamide?
The IUPAC name of N-(3-aminobutyl)-2-ethoxybenzamide (CID 63253543) is N-(3-aminobutyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-ethoxybenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-2-ethoxybenzamide?
The InChIKey is NSBDCXRBELSCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-12-7-5-4-6-11(12)13(16)15-9-8-10(2)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-2-ethoxybenzamide?
N-(3-aminobutyl)-2-ethoxybenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-ethoxybenzamide is sourced from PubChem (CID 63253543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).