N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide

C13H23NO — CID 18337142

IUPACN-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide
SMILESC=CCN(C(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C13H23NO/c1-4-10-14(11(2)3)13(15)12-8-6-5-7-9-12/h4,11-12H,1,5-10H2,2-3H3
InChIKeyQPPNWKNPWVOYSR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds4

About N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide

N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide (PubChem CID 18337142) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide
PubChem CID18337142
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide
SMILESC=CCN(C(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C13H23NO/c1-4-10-14(11(2)3)13(15)12-8-6-5-7-9-12/h4,11-12H,1,5-10H2,2-3H3
InChIKeyQPPNWKNPWVOYSR-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetraallyl-1,4-cyclohexanedicarboxamide
CID 2984762
Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
N,N-diallyl-2-oxocyclohexane-carboxamide
CID 11042284
2-ethyl-N,N-diprop-2-enylhexanamide
CID 4309154
Cyclohexanecarboxamide, N,N-bis(1-methylethyl)-
CID 4340777
Cyclohexanecarboxamide, N-allyl-
CID 5019203
N-methyl-N-propan-2-ylcyclohexanecarboxamide
CID 58372792
N-butan-2-yl-N-butylcyclohexanecarboxamide
CID 78858446
N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
N-methyl-N-[(E)-prop-1-enyl]cyclohexanecarboxamide
CID 155930178
N,N-Diallyl-2-propylvaleramide
CID 3032177
4,4-difluoro-N-methyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 167942850

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide (CID 18337142) is N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide is C=CCN(C(=O)C1CCCCC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide?
The InChIKey is QPPNWKNPWVOYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-10-14(11(2)3)13(15)12-8-6-5-7-9-12/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide?
N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide is sourced from PubChem (CID 18337142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).