(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide

C12H23NO — CID 12902086

IUPAC(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide
SMILESCC(C)/C=C(\C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)7-11(9(3)4)12(14)13-10(5)6/h7-10H,1-6H3,(H,13,14)/b11-7-
InChIKeyGADURJKRQBERQU-XFFZJAGNSA-N
MW197.32 g/mol
LogP2.75
Rot. Bonds4

About (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide

(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide (PubChem CID 12902086) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide
PubChem CID12902086
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide
SMILESCC(C)/C=C(\C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)7-11(9(3)4)12(14)13-10(5)6/h7-10H,1-6H3,(H,13,14)/b11-7-
InChIKeyGADURJKRQBERQU-XFFZJAGNSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methylbutyl)-(2E,6Z,8E)-decatrienamide
CID 5352999
N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305438
Luquilloamide B
CID 170990666
(2E,6Z,8E)-N-[(2S)-2-methylbutyl]deca-2,6,8-trienamide
CID 77844818
(E)-N-(2-methylpropyl)pent-2-enamide
CID 21718815
N-(2-Methylbutyl)deca-2,6,8-trienamide
CID 530392
3,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12007567
N,N'-dimethylisopropylacrylamide
CID 117639872
N-(3-methylbutyl)deca-2,4,6-trienamide
CID 163017819
(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
CID 88970850
(Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
CID 88970851
3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide
CID 123441843

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide?
The IUPAC name of (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide (CID 12902086) is (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide.
What is the SMILES notation for (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide?
The canonical SMILES for (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide is CC(C)/C=C(\C(=O)NC(C)C)C(C)C.
What is the InChIKey of (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide?
The InChIKey is GADURJKRQBERQU-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)7-11(9(3)4)12(14)13-10(5)6/h7-10H,1-6H3,(H,13,14)/b11-7-.
What are the key properties of (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide?
(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide is sourced from PubChem (CID 12902086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).