N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide

C22H33N3O2 — CID 23790905

IUPACN-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
SMILESCC(=O)Nc1cccc(CN(C(=O)C2CCCCC2)C2CCCCC2N)c1
InChIInChI=1S/C22H33N3O2/c1-16(26)24-19-11-7-8-17(14-19)15-25(21-13-6-5-12-20(21)23)22(27)18-9-3-2-4-10-18/h7-8,11,14,18,20-21H,2-6,9-10,12-13,15,23H2,1H3,(H,24,26)
InChIKeyINJRPLVYJJMMSW-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.82
Rot. Bonds5

About N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide

N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide (PubChem CID 23790905) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
PubChem CID23790905
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
SMILESCC(=O)Nc1cccc(CN(C(=O)C2CCCCC2)C2CCCCC2N)c1
InChIInChI=1S/C22H33N3O2/c1-16(26)24-19-11-7-8-17(14-19)15-25(21-13-6-5-12-20(21)23)22(27)18-9-3-2-4-10-18/h7-8,11,14,18,20-21H,2-6,9-10,12-13,15,23H2,1H3,(H,24,26)
InChIKeyINJRPLVYJJMMSW-UHFFFAOYSA-N
XLogP3.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
CID 23850194
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
CID 23739109
N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide
CID 23823004
N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23820528
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
CID 23907684
N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
CID 23963683
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide
CID 23908761
N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23855461
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23934541

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide (CID 23790905) is N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide is CC(=O)Nc1cccc(CN(C(=O)C2CCCCC2)C2CCCCC2N)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide?
The InChIKey is INJRPLVYJJMMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(26)24-19-11-7-8-17(14-19)15-25(21-13-6-5-12-20(21)23)22(27)18-9-3-2-4-10-18/h7-8,11,14,18,20-21H,2-6,9-10,12-13,15,23H2,1H3,(H,24,26).
What are the key properties of N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide?
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide is sourced from PubChem (CID 23790905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).