5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide

C14H27NO — CID 3018432

IUPAC5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H27NO/c1-5-8-15-14(16)13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,15,16)
InChIKeyVHLYQNIIJBSJPU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.22
Rot. Bonds4

About 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide

5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide (PubChem CID 3018432) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide
PubChem CID3018432
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H27NO/c1-5-8-15-14(16)13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,15,16)
InChIKeyVHLYQNIIJBSJPU-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide (CID 3018432) is 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide?
The InChIKey is VHLYQNIIJBSJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-8-15-14(16)13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide?
5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 3018432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).