2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide

C20H39NO — CID 87205211

IUPAC2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H39NO/c1-15(2)16(22)21(19(9,10)13-17(3,4)5)20(11,12)14-18(6,7)8/h1,13-14H2,2-12H3
InChIKeyNSAXMSMHXQVFPR-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.82
Rot. Bonds5

About 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide

2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide (PubChem CID 87205211) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide
PubChem CID87205211
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H39NO/c1-15(2)16(22)21(19(9,10)13-17(3,4)5)20(11,12)14-18(6,7)8/h1,13-14H2,2-12H3
InChIKeyNSAXMSMHXQVFPR-UHFFFAOYSA-N
XLogP5.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.82
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,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
CID 153499824
1,1,3,3-tetrakis(2,4,4-trimethylpentan-2-yl)guanidine
CID 121302597
N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
CID 167496329
2-methyl-N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide
CID 139789964
2-(2,2-dimethylpropyl)-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 157377719
N-tert-butyl-2-methyl-N-propylprop-2-enamide
CID 157254110
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
N-(2-hydroxypropyl)-2-methylprop-2-enehydrazide
CID 174628871
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide (CID 87205211) is 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide is C=C(C)C(=O)N(C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The InChIKey is NSAXMSMHXQVFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-15(2)16(22)21(19(9,10)13-17(3,4)5)20(11,12)14-18(6,7)8/h1,13-14H2,2-12H3.
What are the key properties of 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide has a molecular weight of 309.54 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 87205211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).