N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

C24H36N2O2 — CID 109140356

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H36N2O2/c1-6-17-10-7-8-13-26(17)24(28)21-14-20(21)23(27)25-22-18(15(2)3)11-9-12-19(22)16(4)5/h9,11-12,15-17,20-21H,6-8,10,13-14H2,1-5H3,(H,25,27)
InChIKeyUXBZRSCUCTXUOM-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.30
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109140356) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109140356
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H36N2O2/c1-6-17-10-7-8-13-26(17)24(28)21-14-20(21)23(27)25-22-18(15(2)3)11-9-12-19(22)16(4)5/h9,11-12,15-17,20-21H,6-8,10,13-14H2,1-5H3,(H,25,27)
InChIKeyUXBZRSCUCTXUOM-UHFFFAOYSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 109140348
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109140342
2-(2-ethylpiperidine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109140302
methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140336
N-(4-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140375
1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131764
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109135337
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109140356) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1CC1C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is UXBZRSCUCTXUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-6-17-10-7-8-13-26(17)24(28)21-14-20(21)23(27)25-22-18(15(2)3)11-9-12-19(22)16(4)5/h9,11-12,15-17,20-21H,6-8,10,13-14H2,1-5H3,(H,25,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).