(Z)-N,2-diethyl-N-methylbut-2-enamide

C9H17NO — CID 172631579

IUPAC(Z)-N,2-diethyl-N-methylbut-2-enamide
SMILESC/C=C(/CC)C(=O)N(C)CC
InChIInChI=1S/C9H17NO/c1-5-8(6-2)9(11)10(4)7-3/h5H,6-7H2,1-4H3/b8-5-
InChIKeyUGXVHZGLKWEREQ-YVMONPNESA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds3

About (Z)-N,2-diethyl-N-methylbut-2-enamide

(Z)-N,2-diethyl-N-methylbut-2-enamide (PubChem CID 172631579) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-N,2-diethyl-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N,2-diethyl-N-methylbut-2-enamide
PubChem CID172631579
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-N,2-diethyl-N-methylbut-2-enamide
SMILESC/C=C(/CC)C(=O)N(C)CC
InChIInChI=1S/C9H17NO/c1-5-8(6-2)9(11)10(4)7-3/h5H,6-7H2,1-4H3/b8-5-
InChIKeyUGXVHZGLKWEREQ-YVMONPNESA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

(E)-2-ethyl-N,N-dimethylbut-2-enamide
CID 143612571
3-ethylpent-3-en-2-one
CID 54009630
dimethylamino (E)-2-ethylbut-2-enoate
CID 158766870
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine
CID 19887909
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675
azanium 2-ethylbut-2-enoate
CID 141087619
N-methyl-N-pent-4-enylpropanamide
CID 115640317
1-ethyl-1-methylurea
CID 3032104

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-diethyl-N-methylbut-2-enamide?
The IUPAC name of (Z)-N,2-diethyl-N-methylbut-2-enamide (CID 172631579) is (Z)-N,2-diethyl-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-N,2-diethyl-N-methylbut-2-enamide?
The canonical SMILES for (Z)-N,2-diethyl-N-methylbut-2-enamide is C/C=C(/CC)C(=O)N(C)CC.
What is the InChIKey of (Z)-N,2-diethyl-N-methylbut-2-enamide?
The InChIKey is UGXVHZGLKWEREQ-YVMONPNESA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(6-2)9(11)10(4)7-3/h5H,6-7H2,1-4H3/b8-5-.
What are the key properties of (Z)-N,2-diethyl-N-methylbut-2-enamide?
(Z)-N,2-diethyl-N-methylbut-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-diethyl-N-methylbut-2-enamide is sourced from PubChem (CID 172631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).