N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen

C17H31NO2 — CID 153355270

IUPACN-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen
SMILESCC=C(C)C(=O)NCC1CCC(C(=O)C(C)(C)C)CC1.[H][H]
InChIInChI=1S/C17H29NO2.H2/c1-6-12(2)16(20)18-11-13-7-9-14(10-8-13)15(19)17(3,4)5;/h6,13-14H,7-11H2,1-5H3,(H,18,20);1H
InChIKeyVAFDDHCGJDNTQU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.74
Rot. Bonds4

About N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen

N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen (PubChem CID 153355270) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen
PubChem CID153355270
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen
SMILESCC=C(C)C(=O)NCC1CCC(C(=O)C(C)(C)C)CC1.[H][H]
InChIInChI=1S/C17H29NO2.H2/c1-6-12(2)16(20)18-11-13-7-9-14(10-8-13)15(19)17(3,4)5;/h6,13-14H,7-11H2,1-5H3,(H,18,20);1H
InChIKeyVAFDDHCGJDNTQU-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
CID 146364197
N-[(4-carbamimidoylcyclohexyl)methyl]-2,2-dimethylpropanamide
CID 23590361
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
2,2-dichloro-N-(cyclopropylmethyl)propanamide
CID 126988443
(E)-N-(cyclopropylmethyl)but-2-enamide
CID 22978312
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 177194389
4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 176781646

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen?
The IUPAC name of N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen (CID 153355270) is N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen.
What is the SMILES notation for N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen?
The canonical SMILES for N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen is CC=C(C)C(=O)NCC1CCC(C(=O)C(C)(C)C)CC1.[H][H].
What is the InChIKey of N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen?
The InChIKey is VAFDDHCGJDNTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.H2/c1-6-12(2)16(20)18-11-13-7-9-14(10-8-13)15(19)17(3,4)5;/h6,13-14H,7-11H2,1-5H3,(H,18,20);1H.
What are the key properties of N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen?
N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen has a molecular weight of 281.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen is sourced from PubChem (CID 153355270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).