N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide

C16H19NO2 — CID 115362542

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCC1(CO)CCCC1
InChIInChI=1S/C16H19NO2/c18-13-16(10-4-5-11-16)12-17-15(19)9-8-14-6-2-1-3-7-14/h1-3,6-7,18H,4-5,10-13H2,(H,17,19)
InChIKeyVRABBRXWOFBOOO-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.71
Rot. Bonds3

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide (PubChem CID 115362542) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
PubChem CID115362542
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCC1(CO)CCCC1
InChIInChI=1S/C16H19NO2/c18-13-16(10-4-5-11-16)12-17-15(19)9-8-14-6-2-1-3-7-14/h1-3,6-7,18H,4-5,10-13H2,(H,17,19)
InChIKeyVRABBRXWOFBOOO-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxythian-4-yl)methyl]-3-phenylprop-2-ynamide
CID 111595874
N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylprop-2-ynamide
CID 79488152
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol
CID 103966358
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
4-[2-(2-fluorophenyl)ethynyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 162688790
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
CID 11805711
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide (CID 115362542) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide?
The InChIKey is VRABBRXWOFBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-13-16(10-4-5-11-16)12-17-15(19)9-8-14-6-2-1-3-7-14/h1-3,6-7,18H,4-5,10-13H2,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide has a molecular weight of 257.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 115362542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).