2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide

C18H26N2O — CID 94797406

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide
SMILESCCN(C)Cc1cccc(CNC(=O)C[C@H]2C=CCC2)c1
InChIInChI=1S/C18H26N2O/c1-3-20(2)14-17-10-6-9-16(11-17)13-19-18(21)12-15-7-4-5-8-15/h4,6-7,9-11,15H,3,5,8,12-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeySYEMBWKUVGYMSS-HNNXBMFYSA-N
MW286.42 g/mol
LogP3.11
Rot. Bonds7

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide (PubChem CID 94797406) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide
PubChem CID94797406
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide
SMILESCCN(C)Cc1cccc(CNC(=O)C[C@H]2C=CCC2)c1
InChIInChI=1S/C18H26N2O/c1-3-20(2)14-17-10-6-9-16(11-17)13-19-18(21)12-15-7-4-5-8-15/h4,6-7,9-11,15H,3,5,8,12-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeySYEMBWKUVGYMSS-HNNXBMFYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide 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

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862577
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
2-[(1S)-cyclopent-2-en-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94028854
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860
2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
CID 75691770
4-[[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]methyl]-2-methoxybenzoic acid
CID 124688534
2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385742
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 47076234
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51096909
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-pyridin-3-ylphenyl)methyl]acetamide
CID 97078512
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide (CID 94797406) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide is CCN(C)Cc1cccc(CNC(=O)C[C@H]2C=CCC2)c1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide?
The InChIKey is SYEMBWKUVGYMSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-20(2)14-17-10-6-9-16(11-17)13-19-18(21)12-15-7-4-5-8-15/h4,6-7,9-11,15H,3,5,8,12-14H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 94797406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).