2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide

C20H28N2O — CID 99792155

IUPAC2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-3-13-22(14-4-2)20(23)16-21-19-12-8-11-18(19)15-17-9-6-5-7-10-17/h3-7,9-10,18-19,21H,1-2,8,11-16H2/t18-,19+/m0/s1
InChIKeyBUODLXGUSCLTDA-RBUKOAKNSA-N
MW312.46 g/mol
LogP3.19
Rot. Bonds9

About 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide

2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 99792155) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID99792155
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-3-13-22(14-4-2)20(23)16-21-19-12-8-11-18(19)15-17-9-6-5-7-10-17/h3-7,9-10,18-19,21H,1-2,8,11-16H2/t18-,19+/m0/s1
InChIKeyBUODLXGUSCLTDA-RBUKOAKNSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
CID 99579151
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044263
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
CID 99792150
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
CID 54872346
(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol
CID 99815208
N-(2-benzylcyclopentyl)pyrrolidine-3-carboxamide
CID 119794025
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
CID 122002966
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide (CID 99792155) is 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1.
What is the InChIKey of 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is BUODLXGUSCLTDA-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-13-22(14-4-2)20(23)16-21-19-12-8-11-18(19)15-17-9-6-5-7-10-17/h3-7,9-10,18-19,21H,1-2,8,11-16H2/t18-,19+/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide?
2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 99792155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).