N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide

C13H25NO — CID 87313202

IUPACN,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)11(15)14(8)13(6,7)9-12(3,4)5/h1,9H2,2-8H3
InChIKeyOPYINVOBRDIDRJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds3

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

N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (PubChem CID 87313202) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
PubChem CID87313202
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)11(15)14(8)13(6,7)9-12(3,4)5/h1,9H2,2-8H3
InChIKeyOPYINVOBRDIDRJ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
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

2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87205211
ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate
CID 174385530
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid
CID 88887807
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
CID 167496329
N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
CID 153499824
2-(2,2-dimethylpropyl)-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 157377719
N-(2-hydroxypropyl)-2-methylprop-2-enehydrazide
CID 174628871
2,6,6-trimethyl-3-methylidenehept-1-en-4-one
CID 169195899
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
N-tert-butyl-2-methyl-N-propylprop-2-enamide
CID 157254110

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (CID 87313202) is N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is C=C(C)C(=O)N(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The InChIKey is OPYINVOBRDIDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)11(15)14(8)13(6,7)9-12(3,4)5/h1,9H2,2-8H3.
What are the key properties of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 87313202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).