N-butan-2-yl-N-phenylcyclohexanecarboxamide

C17H25NO — CID 153425263

IUPACN-butan-2-yl-N-phenylcyclohexanecarboxamide
SMILESCCC(C)N(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-3-14(2)18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3
InChIKeySLBYDVJOGFPVDU-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.40
Rot. Bonds4

About N-butan-2-yl-N-phenylcyclohexanecarboxamide

N-butan-2-yl-N-phenylcyclohexanecarboxamide (PubChem CID 153425263) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-butan-2-yl-N-phenylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-phenylcyclohexanecarboxamide
PubChem CID153425263
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-butan-2-yl-N-phenylcyclohexanecarboxamide
SMILESCCC(C)N(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-3-14(2)18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3
InChIKeySLBYDVJOGFPVDU-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
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CID 131974748
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 91453163
N-phenylcyclopentanecarbohydrazide
CID 135123224
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
2-cyclohexyloxy-N-phenyl-N-propan-2-ylacetamide
CID 86776862
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide
CID 22284334
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-phenylcyclohexanecarboxamide?
The IUPAC name of N-butan-2-yl-N-phenylcyclohexanecarboxamide (CID 153425263) is N-butan-2-yl-N-phenylcyclohexanecarboxamide.
What is the SMILES notation for N-butan-2-yl-N-phenylcyclohexanecarboxamide?
The canonical SMILES for N-butan-2-yl-N-phenylcyclohexanecarboxamide is CCC(C)N(C(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N-phenylcyclohexanecarboxamide?
The InChIKey is SLBYDVJOGFPVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-14(2)18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-butan-2-yl-N-phenylcyclohexanecarboxamide?
N-butan-2-yl-N-phenylcyclohexanecarboxamide has a molecular weight of 259.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-phenylcyclohexanecarboxamide is sourced from PubChem (CID 153425263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).