N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide

C14H22N2O3 — CID 119384376

IUPACN-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCN)cc1OCC
InChIInChI=1S/C14H22N2O3/c1-3-9-19-12-6-5-11(10-13(12)18-4-2)14(17)16-8-7-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyUUGBNPMZOCPQBW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds8

About N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide

N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide (PubChem CID 119384376) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
PubChem CID119384376
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCN)cc1OCC
InChIInChI=1S/C14H22N2O3/c1-3-9-19-12-6-5-11(10-13(12)18-4-2)14(17)16-8-7-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyUUGBNPMZOCPQBW-UHFFFAOYSA-N
XLogP1.56
TPSA73.58 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 119548952
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038
N-[3-(4-bromoanilino)-3-oxopropyl]-3-ethoxy-4-propoxybenzamide
CID 55952088
3,4-diethoxy-N-pent-3-ynylbenzamide
CID 115977163
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide (CID 119384376) is N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCN)cc1OCC.
What is the InChIKey of N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide?
The InChIKey is UUGBNPMZOCPQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-9-19-12-6-5-11(10-13(12)18-4-2)14(17)16-8-7-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide?
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 119384376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).