3-amino-N-(2,2-dimethoxyethyl)propanamide

C7H16N2O3 — CID 61275461

IUPAC3-amino-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CNC(=O)CCN)OC
InChIInChI=1S/C7H16N2O3/c1-11-7(12-2)5-9-6(10)3-4-8/h7H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyKVHVXIZQZNIAMY-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.93
Rot. Bonds6

About 3-amino-N-(2,2-dimethoxyethyl)propanamide

3-amino-N-(2,2-dimethoxyethyl)propanamide (PubChem CID 61275461) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethoxyethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethoxyethyl)propanamide
PubChem CID61275461
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name3-amino-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CNC(=O)CCN)OC
InChIInChI=1S/C7H16N2O3/c1-11-7(12-2)5-9-6(10)3-4-8/h7H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyKVHVXIZQZNIAMY-UHFFFAOYSA-N
XLogP-0.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.93
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

N-(2,2-dimethoxyethyl)-3-ethoxypropanamide
CID 62966631
3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide
CID 64679830
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
2,2-dimethoxyethylcarbamic acid
CID 18938836
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid
CID 121428706
4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
CID 119341487
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 62965063
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethoxyethyl)propanamide?
The IUPAC name of 3-amino-N-(2,2-dimethoxyethyl)propanamide (CID 61275461) is 3-amino-N-(2,2-dimethoxyethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethoxyethyl)propanamide?
The canonical SMILES for 3-amino-N-(2,2-dimethoxyethyl)propanamide is COC(CNC(=O)CCN)OC.
What is the InChIKey of 3-amino-N-(2,2-dimethoxyethyl)propanamide?
The InChIKey is KVHVXIZQZNIAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-11-7(12-2)5-9-6(10)3-4-8/h7H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-N-(2,2-dimethoxyethyl)propanamide?
3-amino-N-(2,2-dimethoxyethyl)propanamide has a molecular weight of 176.22 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethoxyethyl)propanamide is sourced from PubChem (CID 61275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).