2-(3,3-diethoxypropylamino)propanamide

C10H22N2O3 — CID 81095052

IUPAC2-(3,3-diethoxypropylamino)propanamide
SMILESCCOC(CCNC(C)C(N)=O)OCC
InChIInChI=1S/C10H22N2O3/c1-4-14-9(15-5-2)6-7-12-8(3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyJFOSDZSREFRCJS-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.24
Rot. Bonds9

About 2-(3,3-diethoxypropylamino)propanamide

2-(3,3-diethoxypropylamino)propanamide (PubChem CID 81095052) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3,3-diethoxypropylamino)propanamide.

Molecular Properties

Compound Name2-(3,3-diethoxypropylamino)propanamide
PubChem CID81095052
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-(3,3-diethoxypropylamino)propanamide
SMILESCCOC(CCNC(C)C(N)=O)OCC
InChIInChI=1S/C10H22N2O3/c1-4-14-9(15-5-2)6-7-12-8(3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyJFOSDZSREFRCJS-UHFFFAOYSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide
CID 113406943
2-(3-methylbutylamino)propanamide
CID 43086017
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
2-(2-aminoethylamino)propanamide
CID 20551229
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
3,3-diethoxypropylcarbamic acid
CID 21075732
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
5-(3,3-diethoxypropylamino)pentanamide
CID 114162185
3,3-diethoxypropylthiourea
CID 59818330
2-(3-hydroxypropylamino)propanamide
CID 43392787
4,4-diethoxy-2-methylbutanamide
CID 90312844

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropylamino)propanamide?
The IUPAC name of 2-(3,3-diethoxypropylamino)propanamide (CID 81095052) is 2-(3,3-diethoxypropylamino)propanamide.
What is the SMILES notation for 2-(3,3-diethoxypropylamino)propanamide?
The canonical SMILES for 2-(3,3-diethoxypropylamino)propanamide is CCOC(CCNC(C)C(N)=O)OCC.
What is the InChIKey of 2-(3,3-diethoxypropylamino)propanamide?
The InChIKey is JFOSDZSREFRCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-4-14-9(15-5-2)6-7-12-8(3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 2-(3,3-diethoxypropylamino)propanamide?
2-(3,3-diethoxypropylamino)propanamide has a molecular weight of 218.30 g/mol, XLogP of 0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropylamino)propanamide is sourced from PubChem (CID 81095052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).