N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide

C17H26N2O — CID 81386672

IUPACN-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N[C@@H](C)C2CCCC2)c1
InChIInChI=1S/C17H26N2O/c1-12(15-7-4-5-8-15)18-13(2)16-9-6-10-17(11-16)19-14(3)20/h6,9-13,15,18H,4-5,7-8H2,1-3H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyZOGXMMWPVSTAGU-UEWDXFNNSA-N
MW274.41 g/mol
LogP3.87
Rot. Bonds5

About N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide

N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 81386672) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
PubChem CID81386672
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N[C@@H](C)C2CCCC2)c1
InChIInChI=1S/C17H26N2O/c1-12(15-7-4-5-8-15)18-13(2)16-9-6-10-17(11-16)19-14(3)20/h6,9-13,15,18H,4-5,7-8H2,1-3H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyZOGXMMWPVSTAGU-UEWDXFNNSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64917961
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
CID 119164758
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CID 43200396
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60979759
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
N-[3-[1-[1-(oxolan-2-yl)propylamino]ethyl]phenyl]acetamide
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CID 43206504

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide (CID 81386672) is N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)N[C@@H](C)C2CCCC2)c1.
What is the InChIKey of N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is ZOGXMMWPVSTAGU-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(15-7-4-5-8-15)18-13(2)16-9-6-10-17(11-16)19-14(3)20/h6,9-13,15,18H,4-5,7-8H2,1-3H3,(H,19,20)/t12-,13?/m0/s1.
What are the key properties of N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide?
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 81386672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).