N-butyl-N,2-dimethylprop-2-enamide

C9H17NO — CID 19783548

IUPACN-butyl-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCC
InChIInChI=1S/C9H17NO/c1-5-6-7-10(4)9(11)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyRKIJUBBBNKDMSS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds4

About N-butyl-N,2-dimethylprop-2-enamide

N-butyl-N,2-dimethylprop-2-enamide (PubChem CID 19783548) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-butyl-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethylprop-2-enamide
PubChem CID19783548
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-butyl-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCC
InChIInChI=1S/C9H17NO/c1-5-6-7-10(4)9(11)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyRKIJUBBBNKDMSS-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylmethacrylamide
CID 81465
N,N-Diethylmethacrylamide
CID 228225
N-Methyl-N-(2-methyl-1-oxoallyl)methacrylamide
CID 81838
N,N-Diallylmethacrylamide
CID 228228
n-Methacryloylpiperidine
CID 3070236
N,N-DI-N-Butylmethacrylamide
CID 9990299
1-(2-Methyl-1-oxo-2-propenyl)pyrrolidine
CID 10236010
N,N-dibutylprop-2-enamide
CID 10419855
2-methyl-N,N-di(propan-2-yl)prop-2-enamide
CID 12947886
N-butyl-3-methyl-2,5-dihydro-2-pyrrolone
CID 13331586
But-2-enamide, N,N-dibutyl-3-methyl-
CID 234948
2-Azetidinone, 1-butyl-3-methylene-
CID 11819148

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethylprop-2-enamide?
The IUPAC name of N-butyl-N,2-dimethylprop-2-enamide (CID 19783548) is N-butyl-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-butyl-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-butyl-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCCC.
What is the InChIKey of N-butyl-N,2-dimethylprop-2-enamide?
The InChIKey is RKIJUBBBNKDMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-7-10(4)9(11)8(2)3/h2,5-7H2,1,3-4H3.
What are the key properties of N-butyl-N,2-dimethylprop-2-enamide?
N-butyl-N,2-dimethylprop-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 19783548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).