N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide

C16H24N2O — CID 99579151

IUPACN-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@H]1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(19)17-10-11-18-16-9-5-8-15(16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16,18H,5,8-12H2,1H3,(H,17,19)/t15-,16-/m0/s1
InChIKeyOLZLEQNPQKXAGW-HOTGVXAUSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds6

About N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide

N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide (PubChem CID 99579151) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
PubChem CID99579151
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@H]1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(19)17-10-11-18-16-9-5-8-15(16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16,18H,5,8-12H2,1H3,(H,17,19)/t15-,16-/m0/s1
InChIKeyOLZLEQNPQKXAGW-HOTGVXAUSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
CID 99792150
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
CID 122002966
N-[2-[(2-methylcyclopentyl)amino]ethyl]acetamide
CID 65046344
2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide
CID 99792155
(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol
CID 99815208
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
N-[2-[[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]ethyl]acetamide
CID 99579246
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
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 N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide (CID 99579151) is N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide is CC(=O)NCCN[C@H]1CCC[C@H]1Cc1ccccc1.
What is the InChIKey of N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide?
The InChIKey is OLZLEQNPQKXAGW-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(19)17-10-11-18-16-9-5-8-15(16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16,18H,5,8-12H2,1H3,(H,17,19)/t15-,16-/m0/s1.
What are the key properties of N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide?
N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide is sourced from PubChem (CID 99579151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).