N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide

C11H17NO2 — CID 89049441

IUPACN-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(C(=O)NC(C)CO)CCC=C1
InChIInChI=1S/C11H17NO2/c1-8-5-3-4-6-10(8)11(14)12-9(2)7-13/h3,5,9,13H,4,6-7H2,1-2H3,(H,12,14)
InChIKeyVLZHCYLICHFVKI-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.15
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide

N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 89049441) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID89049441
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(C(=O)NC(C)CO)CCC=C1
InChIInChI=1S/C11H17NO2/c1-8-5-3-4-6-10(8)11(14)12-9(2)7-13/h3,5,9,13H,4,6-7H2,1-2H3,(H,12,14)
InChIKeyVLZHCYLICHFVKI-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-Methanandamide
CID 6321351
(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide
CID 145964903
Methanandamide, (+-)-
CID 6438332
S-1 Methanandamide
CID 5283423
(5Z,7S,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-7-methylicosa-5,8,11,14-tetraenamide
CID 145964561
(5Z,7R,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-7-methylicosa-5,8,11,14-tetraenamide
CID 145966771
(5Z,8Z,11Z,13R,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide
CID 145972291
N-(1-hydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 1293
Eicosapentaenoyl 1-Propanol-2-amide
CID 118722773
(5Z,8Z,11Z,14Z,17Z)-N-(1,3-dihydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide
CID 118722774
N-[(2R)-1-hydroxypropan-2-yl]eicosa-5,8,11,14-tetraenamide
CID 6610214
Prefusarin
CID 91820254

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide (CID 89049441) is N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide is CC1=C(C(=O)NC(C)CO)CCC=C1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is VLZHCYLICHFVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-5-3-4-6-10(8)11(14)12-9(2)7-13/h3,5,9,13H,4,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 89049441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).