2-[2-(heptan-3-ylamino)ethoxy]acetamide

C11H24N2O2 — CID 106235405

IUPAC2-[2-(heptan-3-ylamino)ethoxy]acetamide
SMILESCCCCC(CC)NCCOCC(N)=O
InChIInChI=1S/C11H24N2O2/c1-3-5-6-10(4-2)13-7-8-15-9-11(12)14/h10,13H,3-9H2,1-2H3,(H2,12,14)
InChIKeyJBSFPLQZQKGWAF-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.05
Rot. Bonds10

About 2-[2-(heptan-3-ylamino)ethoxy]acetamide

2-[2-(heptan-3-ylamino)ethoxy]acetamide (PubChem CID 106235405) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[2-(heptan-3-ylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(heptan-3-ylamino)ethoxy]acetamide
PubChem CID106235405
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[2-(heptan-3-ylamino)ethoxy]acetamide
SMILESCCCCC(CC)NCCOCC(N)=O
InChIInChI=1S/C11H24N2O2/c1-3-5-6-10(4-2)13-7-8-15-9-11(12)14/h10,13H,3-9H2,1-2H3,(H2,12,14)
InChIKeyJBSFPLQZQKGWAF-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(heptan-3-ylamino)propanamide
CID 63944906
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
2-[2-(1-cyanopropylamino)ethoxy]acetamide
CID 106237959
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
ethyl N-[2-(heptan-3-ylamino)ethyl]carbamate
CID 115889515
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092
N-pentylheptan-3-amine
CID 63944300
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
2-(nonan-5-ylamino)ethyl prop-2-enoate
CID 175488339

Frequently Asked Questions

What is the IUPAC name of 2-[2-(heptan-3-ylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(heptan-3-ylamino)ethoxy]acetamide (CID 106235405) is 2-[2-(heptan-3-ylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(heptan-3-ylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(heptan-3-ylamino)ethoxy]acetamide is CCCCC(CC)NCCOCC(N)=O.
What is the InChIKey of 2-[2-(heptan-3-ylamino)ethoxy]acetamide?
The InChIKey is JBSFPLQZQKGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-6-10(4-2)13-7-8-15-9-11(12)14/h10,13H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of 2-[2-(heptan-3-ylamino)ethoxy]acetamide?
2-[2-(heptan-3-ylamino)ethoxy]acetamide has a molecular weight of 216.32 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(heptan-3-ylamino)ethoxy]acetamide is sourced from PubChem (CID 106235405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).