4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide

C18H31NO2 — CID 134906539

IUPAC4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide
SMILESCC(C)N(C(=O)C1C=CC(C(O)C(C)(C)C)C=C1)C(C)C
InChIInChI=1S/C18H31NO2/c1-12(2)19(13(3)4)17(21)15-10-8-14(9-11-15)16(20)18(5,6)7/h8-16,20H,1-7H3
InChIKeyZGHKZEVFBJBHRV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.40
Rot. Bonds4

About 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide

4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide (PubChem CID 134906539) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide
PubChem CID134906539
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide
SMILESCC(C)N(C(=O)C1C=CC(C(O)C(C)(C)C)C=C1)C(C)C
InChIInChI=1S/C18H31NO2/c1-12(2)19(13(3)4)17(21)15-10-8-14(9-11-15)16(20)18(5,6)7/h8-16,20H,1-7H3
InChIKeyZGHKZEVFBJBHRV-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N,N-di(propan-2-yl)-2,5-dihydrofuran-2-carboxamide
CID 10535936
2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide
CID 102383514
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CID 169174386
tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))
CID 139116653
3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea
CID 101340438
[5-[di(propan-2-yl)carbamoyl]cyclopenta-1,3-dien-1-yl]boronic acid
CID 102079511
2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
CID 3470893
tris(di(propan-2-yl)carbamic acid);titanium
CID 11812839
[(Z,3S,4S)-4-hydroxy-3,5,5-trimethylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 101418704
[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631775

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide?
The IUPAC name of 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide (CID 134906539) is 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide?
The canonical SMILES for 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide is CC(C)N(C(=O)C1C=CC(C(O)C(C)(C)C)C=C1)C(C)C.
What is the InChIKey of 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide?
The InChIKey is ZGHKZEVFBJBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-12(2)19(13(3)4)17(21)15-10-8-14(9-11-15)16(20)18(5,6)7/h8-16,20H,1-7H3.
What are the key properties of 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide?
4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide is sourced from PubChem (CID 134906539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).