N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide

C14H23NO — CID 114390037

IUPACN-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESC#CC(C)NC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H23NO/c1-5-12(4)15-13(16)14(10-11(2)3)8-6-7-9-14/h1,11-12H,6-10H2,2-4H3,(H,15,16)
InChIKeyGUYOMGZEYBZYPW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds4

About N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 114390037) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID114390037
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESC#CC(C)NC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H23NO/c1-5-12(4)15-13(16)14(10-11(2)3)8-6-7-9-14/h1,11-12H,6-10H2,2-4H3,(H,15,16)
InChIKeyGUYOMGZEYBZYPW-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113376732
1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide
CID 114417175
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
(2R)-4-methyl-2-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 119363910
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106183699
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(2-amino-1-cyclopropylethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 119613969

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 114390037) is N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide is C#CC(C)NC(=O)C1(CC(C)C)CCCC1.
What is the InChIKey of N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is GUYOMGZEYBZYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(4)15-13(16)14(10-11(2)3)8-6-7-9-14/h1,11-12H,6-10H2,2-4H3,(H,15,16).
What are the key properties of N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114390037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).