2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide

C19H28N2O2 — CID 84592072

IUPAC2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
SMILESCC(C(=O)N(CCN(C)C)Cc1cccc(O)c1)=C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-15(17-8-4-5-9-17)19(23)21(12-11-20(2)3)14-16-7-6-10-18(22)13-16/h6-7,10,13,22H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyDBMKDRIIFIKDTE-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.17
Rot. Bonds6

About 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide

2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide (PubChem CID 84592072) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
PubChem CID84592072
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
SMILESCC(C(=O)N(CCN(C)C)Cc1cccc(O)c1)=C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-15(17-8-4-5-9-17)19(23)21(12-11-20(2)3)14-16-7-6-10-18(22)13-16/h6-7,10,13,22H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyDBMKDRIIFIKDTE-UHFFFAOYSA-N
XLogP3.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea
CID 60609367
N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide
CID 22070464
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47848491
N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 84820781
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
CID 89030323
N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-methylpent-2-enamide
CID 72687545
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 71847025
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide?
The IUPAC name of 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide (CID 84592072) is 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide is CC(C(=O)N(CCN(C)C)Cc1cccc(O)c1)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide?
The InChIKey is DBMKDRIIFIKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(17-8-4-5-9-17)19(23)21(12-11-20(2)3)14-16-7-6-10-18(22)13-16/h6-7,10,13,22H,4-5,8-9,11-12,14H2,1-3H3.
What are the key properties of 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide?
2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide has a molecular weight of 316.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 84592072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).