N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide

C19H30N2O — CID 130233470

IUPACN-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide
SMILESCC(C)C1(C(C)C)CCC(NC(=O)Cc2ccncc2)CC1
InChIInChI=1S/C19H30N2O/c1-14(2)19(15(3)4)9-5-17(6-10-19)21-18(22)13-16-7-11-20-12-8-16/h7-8,11-12,14-15,17H,5-6,9-10,13H2,1-4H3,(H,21,22)
InChIKeyQQLFMHNKWYALTD-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.98
Rot. Bonds5

About N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide

N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide (PubChem CID 130233470) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide
PubChem CID130233470
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide
SMILESCC(C)C1(C(C)C)CCC(NC(=O)Cc2ccncc2)CC1
InChIInChI=1S/C19H30N2O/c1-14(2)19(15(3)4)9-5-17(6-10-19)21-18(22)13-16-7-11-20-12-8-16/h7-8,11-12,14-15,17H,5-6,9-10,13H2,1-4H3,(H,21,22)
InChIKeyQQLFMHNKWYALTD-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-2-pyridin-4-ylacetamide
CID 43508886
N-(3-aminocyclobutyl)-2-pyridin-4-ylacetamide
CID 43594929
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-(4-ethyl-4-methylcyclohexyl)-2-pyridin-3-ylacetamide
CID 130233519
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
methyl 4-hydroxy-4-[[(2-pyridin-4-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 112535118
N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide
CID 144881987
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888

Frequently Asked Questions

What is the IUPAC name of N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide (CID 130233470) is N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide is CC(C)C1(C(C)C)CCC(NC(=O)Cc2ccncc2)CC1.
What is the InChIKey of N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide?
The InChIKey is QQLFMHNKWYALTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)19(15(3)4)9-5-17(6-10-19)21-18(22)13-16-7-11-20-12-8-16/h7-8,11-12,14-15,17H,5-6,9-10,13H2,1-4H3,(H,21,22).
What are the key properties of N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide?
N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide has a molecular weight of 302.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 130233470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).