N-(2-methoxypropyl)-2-oxopropanamide

C7H13NO3 — CID 20671651

IUPACN-(2-methoxypropyl)-2-oxopropanamide
SMILESCOC(C)CNC(=O)C(C)=O
InChIInChI=1S/C7H13NO3/c1-5(11-3)4-8-7(10)6(2)9/h5H,4H2,1-3H3,(H,8,10)
InChIKeyPONAUWQJIZITOF-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.27
Rot. Bonds4

About N-(2-methoxypropyl)-2-oxopropanamide

N-(2-methoxypropyl)-2-oxopropanamide (PubChem CID 20671651) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-oxopropanamide
PubChem CID20671651
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(2-methoxypropyl)-2-oxopropanamide
SMILESCOC(C)CNC(=O)C(C)=O
InChIInChI=1S/C7H13NO3/c1-5(11-3)4-8-7(10)6(2)9/h5H,4H2,1-3H3,(H,8,10)
InChIKeyPONAUWQJIZITOF-UHFFFAOYSA-N
XLogP-0.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxypropyl)acetamide
CID 90876780
N-(2-methoxypropyl)-2-sulfanylpropanamide
CID 107036659
N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl]-2-methylprop-2-enamide
CID 175714960
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
N-[2-(1-methoxyethoxy)propyl]acetamide
CID 143226196
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
2-methoxypropylthiourea
CID 102697400
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
ethyl 4-(2-methoxypropylamino)-4-oxobutanoate
CID 102694605

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-oxopropanamide?
The IUPAC name of N-(2-methoxypropyl)-2-oxopropanamide (CID 20671651) is N-(2-methoxypropyl)-2-oxopropanamide.
What is the SMILES notation for N-(2-methoxypropyl)-2-oxopropanamide?
The canonical SMILES for N-(2-methoxypropyl)-2-oxopropanamide is COC(C)CNC(=O)C(C)=O.
What is the InChIKey of N-(2-methoxypropyl)-2-oxopropanamide?
The InChIKey is PONAUWQJIZITOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(11-3)4-8-7(10)6(2)9/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of N-(2-methoxypropyl)-2-oxopropanamide?
N-(2-methoxypropyl)-2-oxopropanamide has a molecular weight of 159.18 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2-oxopropanamide is sourced from PubChem (CID 20671651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).