N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide

C14H22N2O3 — CID 82354283

IUPACN-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCOCCN)cc1
InChIInChI=1S/C14H22N2O3/c1-11(2)19-13-5-3-12(4-6-13)14(17)16-8-10-18-9-7-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyJYJZZKRCYISDRI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.18
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide

N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 82354283) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
PubChem CID82354283
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCOCCN)cc1
InChIInChI=1S/C14H22N2O3/c1-11(2)19-13-5-3-12(4-6-13)14(17)16-8-10-18-9-7-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyJYJZZKRCYISDRI-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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

N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905
[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite
CID 144680353
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 104681875

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide (CID 82354283) is N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCOCCN)cc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is JYJZZKRCYISDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)19-13-5-3-12(4-6-13)14(17)16-8-10-18-9-7-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide?
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.18, 8 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-propan-2-yloxybenzamide is sourced from PubChem (CID 82354283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).