N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide

C16H24N2O — CID 81394935

IUPACN-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN[C@H](C)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(14-7-3-4-8-14)17-11-15-9-5-6-10-16(15)18-13(2)19/h5-6,9-10,12,14,17H,3-4,7-8,11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyIFZMCTODTUKCLG-GFCCVEGCSA-N
MW260.38 g/mol
LogP3.31
Rot. Bonds5

About N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide

N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide (PubChem CID 81394935) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
PubChem CID81394935
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN[C@H](C)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(14-7-3-4-8-14)17-11-15-9-5-6-10-16(15)18-13(2)19/h5-6,9-10,12,14,17H,3-4,7-8,11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyIFZMCTODTUKCLG-GFCCVEGCSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
CID 66419635
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242
N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
CID 66418081
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide (CID 81394935) is N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CN[C@H](C)C1CCCC1.
What is the InChIKey of N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide?
The InChIKey is IFZMCTODTUKCLG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(14-7-3-4-8-14)17-11-15-9-5-6-10-16(15)18-13(2)19/h5-6,9-10,12,14,17H,3-4,7-8,11H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide?
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 81394935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).