N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide

C15H24N2O3 — CID 63755737

IUPACN-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCOCCN)cc1
InChIInChI=1S/C15H24N2O3/c1-2-3-10-20-14-6-4-13(5-7-14)15(18)17-9-12-19-11-8-16/h4-7H,2-3,8-12,16H2,1H3,(H,17,18)
InChIKeyTWCJYYLFYWYUKA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.57
Rot. Bonds10

About N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide

N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide (PubChem CID 63755737) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
PubChem CID63755737
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCOCCN)cc1
InChIInChI=1S/C15H24N2O3/c1-2-3-10-20-14-6-4-13(5-7-14)15(18)17-9-12-19-11-8-16/h4-7H,2-3,8-12,16H2,1H3,(H,17,18)
InChIKeyTWCJYYLFYWYUKA-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
N-[2-(2-aminoethylamino)ethyl]-4-[(4-octoxyphenyl)diazenyl]benzamide
CID 101128117

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide (CID 63755737) is N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCCOCCN)cc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide?
The InChIKey is TWCJYYLFYWYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-10-20-14-6-4-13(5-7-14)15(18)17-9-12-19-11-8-16/h4-7H,2-3,8-12,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide?
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide is sourced from PubChem (CID 63755737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).