2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide

C16H29NO — CID 21366263

IUPAC2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CC(CCC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C16H29NO/c1-12(2)11-15(16(18)17-13(3)4)10-9-14-7-5-6-8-14/h13-15H,1,5-11H2,2-4H3,(H,17,18)
InChIKeyWMPPFBJURIRDKJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.06
Rot. Bonds7

About 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide

2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide (PubChem CID 21366263) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide
PubChem CID21366263
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CC(CCC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C16H29NO/c1-12(2)11-15(16(18)17-13(3)4)10-9-14-7-5-6-8-14/h13-15H,1,5-11H2,2-4H3,(H,17,18)
InChIKeyWMPPFBJURIRDKJ-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,9-dimethyl-N-octyldec-8-enamide
CID 44561012
2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
CID 161135794
N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide
CID 167232804
(R)-2-ethyl-N-((S)-4-ethyl-8-methylnon-8-en-1-yl)hex-5-enamide
CID 163319714
(R)-2-ethyl-N-((S)-4-ethyloct-7-en-1-yl)-6-methylhept-6-enamide
CID 163319716
(3R,11S,Z)-3,11-diethyl-7-methylazacyclotetradec-7-en-2-one
CID 163319717
3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 132459359
3-Cyclopentylpropionamide, N-methallyl-
CID 91695995
N,2,9,9-tetramethyl-6-methylideneundecanamide
CID 18716551
N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide
CID 20790177
N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide
CID 20790220
2-methyl-N-octadecylnon-8-enamide
CID 21313289

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide?
The IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide (CID 21366263) is 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide is C=C(C)CC(CCC1CCCC1)C(=O)NC(C)C.
What is the InChIKey of 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide?
The InChIKey is WMPPFBJURIRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(2)11-15(16(18)17-13(3)4)10-9-14-7-5-6-8-14/h13-15H,1,5-11H2,2-4H3,(H,17,18).
What are the key properties of 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide?
2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide has a molecular weight of 251.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-4-methyl-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 21366263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).