N,N-diethyl-2-methylidenebutanamide

C9H17NO — CID 587676

IUPACN,N-diethyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h4-7H2,1-3H3
InChIKeyRVNRKCWNIBXLSU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds4

About N,N-diethyl-2-methylidenebutanamide

N,N-diethyl-2-methylidenebutanamide (PubChem CID 587676) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N-diethyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN,N-diethyl-2-methylidenebutanamide
PubChem CID587676
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,N-diethyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h4-7H2,1-3H3
InChIKeyRVNRKCWNIBXLSU-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-Diethylmethacrylamide
CID 228225
1-Methyl-3-methylidenepyrrolidin-2-one
CID 10844354
N,N-DI-N-Butylmethacrylamide
CID 9990299
1-(2-Methyl-1-oxo-2-propenyl)pyrrolidine
CID 10236010
2-methyl-N,N-di(propan-2-yl)prop-2-enamide
CID 12947886
Diethylaminoethylacrylamide
CID 21696444
N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide
CID 59297284
N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89352113
N-(3,3-difluoropropyl)-3-methyl-2-methylidene-N-propylbutanamide
CID 89352169
N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide
CID 144636882
3-Butenamide, N,N-diethyl-2-methylene-
CID 543059
2-Butenamide, N,N-diethyl-2-methyl-, (E)-
CID 5367824

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylidenebutanamide?
The IUPAC name of N,N-diethyl-2-methylidenebutanamide (CID 587676) is N,N-diethyl-2-methylidenebutanamide.
What is the SMILES notation for N,N-diethyl-2-methylidenebutanamide?
The canonical SMILES for N,N-diethyl-2-methylidenebutanamide is C=C(CC)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylidenebutanamide?
The InChIKey is RVNRKCWNIBXLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylidenebutanamide?
N,N-diethyl-2-methylidenebutanamide 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,N-diethyl-2-methylidenebutanamide is sourced from PubChem (CID 587676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).