N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide

C15H27NO — CID 20790222

IUPACN-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
SMILESC=CCC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO/c1-5-8-13(11-12-9-6-7-10-12)14(17)16-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyGUFVMKUXERNNPH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.67
Rot. Bonds5

About N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide

N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide (PubChem CID 20790222) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
PubChem CID20790222
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
SMILESC=CCC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO/c1-5-8-13(11-12-9-6-7-10-12)14(17)16-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyGUFVMKUXERNNPH-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.67
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-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one
CID 59143638
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
CID 161398995
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
1-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 23555113
(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide
CID 10017644
N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
CID 20790175
1-cyclohexylpent-4-en-2-ol
CID 13166988
1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 59033305
N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhexanamide;N,2-ditert-butylhexanamide
CID 161467995

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide (CID 20790222) is N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide is C=CCC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide?
The InChIKey is GUFVMKUXERNNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-8-13(11-12-9-6-7-10-12)14(17)16-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide?
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide has a molecular weight of 237.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide is sourced from PubChem (CID 20790222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).