N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide

C13H21N3O3 — CID 146425012

IUPACN-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(=O)NCNC(=O)C=C
InChIInChI=1S/C7H10N2O2.C6H11NO/c1-3-6(10)8-5-9-7(11)4-2;1-4-6(8)7-5(2)3/h3-4H,1-2,5H2,(H,8,10)(H,9,11);4-5H,1H2,2-3H3,(H,7,8)
InChIKeyUOZCJNVMVXCXFI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.25
Rot. Bonds6

About N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide

N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide (PubChem CID 146425012) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide
PubChem CID146425012
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(=O)NCNC(=O)C=C
InChIInChI=1S/C7H10N2O2.C6H11NO/c1-3-6(10)8-5-9-7(11)4-2;1-4-6(8)7-5(2)3/h3-4H,1-2,5H2,(H,8,10)(H,9,11);4-5H,1H2,2-3H3,(H,7,8)
InChIKeyUOZCJNVMVXCXFI-UHFFFAOYSA-N
XLogP0.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-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

Related Compounds

Poly(N-isopropylacrylamide-N-tert-butylacrylamide)copolymer
CID 3080965
N-((Dibutylamino)methyl)acrylamide
CID 92692
N,N'-Methylenedi(prop-2-enimidic acid)--prop-2-enimidic acid (1/1)
CID 168241
N-[(Dimethylamino)methyl]prop-2-enimidic acid--prop-2-enimidic acid (1/1)
CID 170477
(E)-N,N'-diisopropylbut-2-enediamide
CID 24973364
Allyl-isopropyl-acetylharnstoff
CID 9942324
N-propan-2-ylprop-2-enamide;prop-2-enamide
CID 10375130
n-Acryloyl-diaminoethane
CID 17905293
N,N-(dimethylamino)propylacrylamide
CID 19831617
N,N'-di(propan-2-yl)but-2-enediamide
CID 74377286
N,N-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 88641782
N-propan-2-ylprop-2-enamide;prop-2-en-1-amine
CID 174516736

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The IUPAC name of N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide (CID 146425012) is N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The canonical SMILES for N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide is C=CC(=O)NC(C)C.C=CC(=O)NCNC(=O)C=C.
What is the InChIKey of N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The InChIKey is UOZCJNVMVXCXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C6H11NO/c1-3-6(10)8-5-9-7(11)4-2;1-4-6(8)7-5(2)3/h3-4H,1-2,5H2,(H,8,10)(H,9,11);4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide is sourced from PubChem (CID 146425012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).