N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide

C9H18N2O2 — CID 22133403

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(O)CN(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)9(13)10-5-8(12)6-11(3)4/h8,12H,1,5-6H2,2-4H3,(H,10,13)
InChIKeyIYGVJZQPWDCHLB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.40
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide

N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide (PubChem CID 22133403) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide
PubChem CID22133403
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(O)CN(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)9(13)10-5-8(12)6-11(3)4/h8,12H,1,5-6H2,2-4H3,(H,10,13)
InChIKeyIYGVJZQPWDCHLB-UHFFFAOYSA-N
XLogP-0.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide (CID 22133403) is N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide?
The InChIKey is IYGVJZQPWDCHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)9(13)10-5-8(12)6-11(3)4/h8,12H,1,5-6H2,2-4H3,(H,10,13).
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide?
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide has a molecular weight of 186.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylprop-2-enamide is sourced from PubChem (CID 22133403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).