N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide

C16H27NO2 — CID 118682788

IUPACN-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)CC(CO)CCCCNC(=O)C1=CC=CC1
InChIInChI=1S/C16H27NO2/c1-13(2)11-14(12-18)7-5-6-10-17-16(19)15-8-3-4-9-15/h3-4,8,13-14,18H,5-7,9-12H2,1-2H3,(H,17,19)
InChIKeyFTOYGZXXCKLARL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.81
Rot. Bonds9

About N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide

N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 118682788) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID118682788
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)CC(CO)CCCCNC(=O)C1=CC=CC1
InChIInChI=1S/C16H27NO2/c1-13(2)11-14(12-18)7-5-6-10-17-16(19)15-8-3-4-9-15/h3-4,8,13-14,18H,5-7,9-12H2,1-2H3,(H,17,19)
InChIKeyFTOYGZXXCKLARL-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide
CID 21158634
N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide
CID 71018014
N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide
CID 118682787
N-(2-butyl-1-hydroxyhexyl)tetradeca-2,4,8,10,12-pentaenamide
CID 149721749
N-(1-hydroxy-2-methylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide
CID 149991567
N-(1-hydroxy-2-methylheptyl)octadeca-2,4,6,10,12,14-hexaenamide
CID 150195198
N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide
CID 151678813
N-(1-hydroxy-2-propylheptyl)hexadeca-2,4,8,10,12,14-hexaenamide
CID 152212344
N-(1-hydroxy-2-propylheptyl)hexadeca-2,4,6,10,12,14-hexaenamide
CID 152306073
5-cyclopenta-1,4-dien-1-yl-N-[5-(hydroxymethyl)-6-sulfanylhexyl]cyclopenta-1,4-diene-1-carboxamide
CID 163806516
(2E,4E,6E,8E)-N-[5-(hydroperoxymethyl)-6-hydroxyhexyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 176661180
N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide
CID 91662713

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide (CID 118682788) is N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide is CC(C)CC(CO)CCCCNC(=O)C1=CC=CC1.
What is the InChIKey of N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is FTOYGZXXCKLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)11-14(12-18)7-5-6-10-17-16(19)15-8-3-4-9-15/h3-4,8,13-14,18H,5-7,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide?
N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 118682788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).