N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide

C9H18N2O — CID 23525031

IUPACN-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide
SMILESC=C(NC(C)C)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)10-8(5)9(12)11-7(3)4/h6-7,10H,5H2,1-4H3,(H,11,12)
InChIKeyURLRLIJRHAPYKU-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.02
Rot. Bonds4

About N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide

N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide (PubChem CID 23525031) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide
PubChem CID23525031
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide
SMILESC=C(NC(C)C)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)10-8(5)9(12)11-7(3)4/h6-7,10H,5H2,1-4H3,(H,11,12)
InChIKeyURLRLIJRHAPYKU-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-N-methylprop-2-enamide
CID 15658709
2-acetamido-N-butan-2-ylprop-2-enamide
CID 45119268
2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-acetamido-N-propylprop-2-enamide
CID 76329580
N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide
CID 10313403
N-methyl-2-(methylamino)prop-2-enamide
CID 57978903
Methylidenepiperazine-2-one
CID 67575125
2-acetamido-N-(3-methylbutyl)prop-2-enamide
CID 12004285
2-Acetamido-N,N-diethylprop-2-enamide
CID 45119415
2-Acetamido-N,N-dimethylprop-2-enamide
CID 71361752
2-[acetyl(methyl)amino]-N-methylprop-2-enamide
CID 102342339

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide?
The IUPAC name of N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide (CID 23525031) is N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide.
What is the SMILES notation for N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide?
The canonical SMILES for N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide is C=C(NC(C)C)C(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide?
The InChIKey is URLRLIJRHAPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)10-8(5)9(12)11-7(3)4/h6-7,10H,5H2,1-4H3,(H,11,12).
What are the key properties of N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide?
N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide is sourced from PubChem (CID 23525031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).