3-(3-propan-2-yloxypropylamino)propanamide

C9H20N2O2 — CID 2502548

IUPAC3-(3-propan-2-yloxypropylamino)propanamide
SMILESCC(C)OCCCNCCC(N)=O
InChIInChI=1S/C9H20N2O2/c1-8(2)13-7-3-5-11-6-4-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyQQVPRUQJEKRQNH-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.27
Rot. Bonds8

About 3-(3-propan-2-yloxypropylamino)propanamide

3-(3-propan-2-yloxypropylamino)propanamide (PubChem CID 2502548) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(3-propan-2-yloxypropylamino)propanamide.

Molecular Properties

Compound Name3-(3-propan-2-yloxypropylamino)propanamide
PubChem CID2502548
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(3-propan-2-yloxypropylamino)propanamide
SMILESCC(C)OCCCNCCC(N)=O
InChIInChI=1S/C9H20N2O2/c1-8(2)13-7-3-5-11-6-4-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyQQVPRUQJEKRQNH-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.27
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-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one
CID 134214874
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate
CID 94133666
N-methyl-5-(2-propan-2-yloxyethylamino)pentanamide
CID 146243882
5-(3,3-diethoxypropylamino)pentanamide
CID 114162185
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
3-(3-cyanopropylamino)propanamide
CID 43553561

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yloxypropylamino)propanamide?
The IUPAC name of 3-(3-propan-2-yloxypropylamino)propanamide (CID 2502548) is 3-(3-propan-2-yloxypropylamino)propanamide.
What is the SMILES notation for 3-(3-propan-2-yloxypropylamino)propanamide?
The canonical SMILES for 3-(3-propan-2-yloxypropylamino)propanamide is CC(C)OCCCNCCC(N)=O.
What is the InChIKey of 3-(3-propan-2-yloxypropylamino)propanamide?
The InChIKey is QQVPRUQJEKRQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)13-7-3-5-11-6-4-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 3-(3-propan-2-yloxypropylamino)propanamide?
3-(3-propan-2-yloxypropylamino)propanamide has a molecular weight of 188.27 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxypropylamino)propanamide is sourced from PubChem (CID 2502548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).