3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide

C11H22N2O2 — CID 177062284

IUPAC3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide
SMILESC=C(C)OCCNC(=O)CCNC(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(14)13-7-8-15-10(3)4/h9,12H,3,5-8H2,1-2,4H3,(H,13,14)
InChIKeyCVKWETXBEXZBEG-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.04
Rot. Bonds8

About 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide

3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide (PubChem CID 177062284) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide
PubChem CID177062284
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide
SMILESC=C(C)OCCNC(=O)CCNC(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(14)13-7-8-15-10(3)4/h9,12H,3,5-8H2,1-2,4H3,(H,13,14)
InChIKeyCVKWETXBEXZBEG-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
3-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761146
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
N-(2-methoxyethoxy)-3-(propan-2-ylamino)propanamide
CID 81433255
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide (CID 177062284) is 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide is C=C(C)OCCNC(=O)CCNC(C)C.
What is the InChIKey of 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide?
The InChIKey is CVKWETXBEXZBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(14)13-7-8-15-10(3)4/h9,12H,3,5-8H2,1-2,4H3,(H,13,14).
What are the key properties of 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide?
3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide has a molecular weight of 214.31 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide is sourced from PubChem (CID 177062284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).