N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide

C19H24N2O2 — CID 90551532

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(22)21-18-11-8-17(9-12-18)7-4-14-20-19(23)13-10-16-5-2-3-6-16/h8-9,11-12,16H,2-3,5-6,10,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyKXEOJRPFSDSZAE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.08
Rot. Bonds5

About N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide

N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide (PubChem CID 90551532) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide
PubChem CID90551532
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(22)21-18-11-8-17(9-12-18)7-4-14-20-19(23)13-10-16-5-2-3-6-16/h8-9,11-12,16H,2-3,5-6,10,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyKXEOJRPFSDSZAE-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.08
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

3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
CID 56807333
4-[3-(3-cyclohexylpropanoylamino)prop-1-ynyl]-N,N-dimethylbenzamide
CID 90550004
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
CID 90577231
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701
N-[4-[3-(tert-butylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554161
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide (CID 90551532) is N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide is CC(=O)Nc1ccc(C#CCNC(=O)CCC2CCCC2)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide?
The InChIKey is KXEOJRPFSDSZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(22)21-18-11-8-17(9-12-18)7-4-14-20-19(23)13-10-16-5-2-3-6-16/h8-9,11-12,16H,2-3,5-6,10,13-14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 90551532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).