N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide

C7H13NO3 — CID 20603690

IUPACN-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)CO
InChIInChI=1S/C7H13NO3/c1-5(2)7(11)8-6(3-9)4-10/h6,9-10H,1,3-4H2,2H3,(H,8,11)
InChIKeyBADXLDYEYMCSEN-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.97
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide

N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide (PubChem CID 20603690) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide
PubChem CID20603690
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)CO
InChIInChI=1S/C7H13NO3/c1-5(2)7(11)8-6(3-9)4-10/h6,9-10H,1,3-4H2,2H3,(H,8,11)
InChIKeyBADXLDYEYMCSEN-UHFFFAOYSA-N
XLogP-0.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide (CID 20603690) is N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The InChIKey is BADXLDYEYMCSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)7(11)8-6(3-9)4-10/h6,9-10H,1,3-4H2,2H3,(H,8,11).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide has a molecular weight of 159.18 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 20603690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).