3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide

C12H26N2O2 — CID 65264682

IUPAC3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
SMILESCCOCCCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H26N2O2/c1-6-16-9-7-8-14-10(15)11(2,3)12(4,5)13/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyDEBACQIDLASPDQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds7

About 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide

3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide (PubChem CID 65264682) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
PubChem CID65264682
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
SMILESCCOCCCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H26N2O2/c1-6-16-9-7-8-14-10(15)11(2,3)12(4,5)13/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyDEBACQIDLASPDQ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
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

N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
2,2,2-tribromo-N-(3-ethoxypropyl)acetamide
CID 20741094
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
CID 65266947
(2R)-2-(3-ethoxypropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 113353155

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide (CID 65264682) is 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide is CCOCCCNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide?
The InChIKey is DEBACQIDLASPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-16-9-7-8-14-10(15)11(2,3)12(4,5)13/h6-9,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide?
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).