N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide

C22H27N3O2 — CID 47052652

IUPACN-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCC(=O)Nc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-16(26)24-20-11-9-17(10-12-20)14-23-15-18-5-4-8-21(13-18)25-22(27)19-6-2-3-7-19/h4-5,8-13,19,23H,2-3,6-7,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyQWRBGZLFXCJHRS-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.06
Rot. Bonds7

About N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 47052652) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID47052652
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCC(=O)Nc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-16(26)24-20-11-9-17(10-12-20)14-23-15-18-5-4-8-21(13-18)25-22(27)19-6-2-3-7-19/h4-5,8-13,19,23H,2-3,6-7,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyQWRBGZLFXCJHRS-UHFFFAOYSA-N
XLogP4.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55598977
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide (CID 47052652) is N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide is CC(=O)Nc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1.
What is the InChIKey of N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is QWRBGZLFXCJHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(26)24-20-11-9-17(10-12-20)14-23-15-18-5-4-8-21(13-18)25-22(27)19-6-2-3-7-19/h4-5,8-13,19,23H,2-3,6-7,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 47052652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).