N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide

C12H24N2O — CID 87732978

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)12(15)13-7-8-14(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3,(H,13,15)
InChIKeyKFGUMBKURYIETL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide (PubChem CID 87732978) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
PubChem CID87732978
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)12(15)13-7-8-14(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3,(H,13,15)
InChIKeyKFGUMBKURYIETL-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
2-methyl-N-[2-[2-[3-methylbuta-1,3-dien-2-yl-[2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 139439211
N-[2-[di(propan-2-yl)amino]ethyl]-2-methyloxirane-2-carboxamide
CID 166429060
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60690147

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide (CID 87732978) is N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is KFGUMBKURYIETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)12(15)13-7-8-14(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3,(H,13,15).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87732978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).