N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide

C18H32N2O2 — CID 136553126

IUPACN-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide
SMILESCC1CN(C(=O)NCC(C)(C)C2=CCCCC2)CC1(C)CO
InChIInChI=1S/C18H32N2O2/c1-14-10-20(12-18(14,4)13-21)16(22)19-11-17(2,3)15-8-6-5-7-9-15/h8,14,21H,5-7,9-13H2,1-4H3,(H,19,22)
InChIKeyKZSSUQSYZZDIES-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide

N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide (PubChem CID 136553126) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide
PubChem CID136553126
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide
SMILESCC1CN(C(=O)NCC(C)(C)C2=CCCCC2)CC1(C)CO
InChIInChI=1S/C18H32N2O2/c1-14-10-20(12-18(14,4)13-21)16(22)19-11-17(2,3)15-8-6-5-7-9-15/h8,14,21H,5-7,9-13H2,1-4H3,(H,19,22)
InChIKeyKZSSUQSYZZDIES-UHFFFAOYSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aS,6aR)-2-[[2-(cyclopenten-1-yl)-2-methylpropyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122017111
4-[[2-(cyclohexen-1-yl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122010471
N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 131052609
N-[2-(cyclohexen-1-yl)-2-methylpropyl]-2-(1-methoxypiperidin-4-yl)acetamide
CID 167816633
N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine
CID 122155630
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 128633885
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 128685706
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 13460670
1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 107855976

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide (CID 136553126) is N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide is CC1CN(C(=O)NCC(C)(C)C2=CCCCC2)CC1(C)CO.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide?
The InChIKey is KZSSUQSYZZDIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-14-10-20(12-18(14,4)13-21)16(22)19-11-17(2,3)15-8-6-5-7-9-15/h8,14,21H,5-7,9-13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide?
N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-2-methylpropyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136553126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).