3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide

C12H26N2O3 — CID 106448880

IUPAC3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide
SMILESCCCNC(COCCOCC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-4-5-14-11(12(13)15)9-17-7-6-16-8-10(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,15)
InChIKeyVKUNYQNQQIWLFH-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.53
Rot. Bonds11

About 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide

3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide (PubChem CID 106448880) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide
PubChem CID106448880
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide
SMILESCCCNC(COCCOCC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-4-5-14-11(12(13)15)9-17-7-6-16-8-10(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,15)
InChIKeyVKUNYQNQQIWLFH-UHFFFAOYSA-N
XLogP0.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.53
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

2-Methyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61937980
2-Methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61938183
3-(2,2-Difluoroethoxy)-2-methyl-2-(propylamino)propanamide
CID 82006127
3-(2,2-Difluoroethoxy)-2-methyl-2-(propan-2-ylamino)propanamide
CID 82006128
3-(2,2-Difluoroethoxy)-2-(propylamino)propanamide
CID 82007072
2-(Propylamino)-3-(4,4,4-trifluorobutoxy)propanamide
CID 82787673
2-(Propylamino)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82957611
2-Methyl-2-(propylamino)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82957948
2-Methyl-2-(propan-2-ylamino)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82958740
6-(Methylamino)-4-(2-methylpropyl)-1,4-oxazepan-5-one
CID 22985049
(2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-3-methylbutanamide
CID 54131740
N-[(2S)-1-(tert-butylamino)-3-methoxy-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 57643519

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide?
The IUPAC name of 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide (CID 106448880) is 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide is CCCNC(COCCOCC(C)C)C(N)=O.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide?
The InChIKey is VKUNYQNQQIWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-5-14-11(12(13)15)9-17-7-6-16-8-10(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide?
3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide has a molecular weight of 246.35 g/mol, XLogP of 0.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide is sourced from PubChem (CID 106448880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).