N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide

C22H35N3O — CID 23853695

IUPACN-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(CC2CCCCC2)C2CCC(N)CC2)cc1
InChIInChI=1S/C22H35N3O/c1-17(26)24-21-11-7-19(8-12-21)16-25(15-18-5-3-2-4-6-18)22-13-9-20(23)10-14-22/h7-8,11-12,18,20,22H,2-6,9-10,13-16,23H2,1H3,(H,24,26)
InChIKeySTJCICRQICKGFP-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.30
Rot. Bonds6

About N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide

N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide (PubChem CID 23853695) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide
PubChem CID23853695
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(CC2CCCCC2)C2CCC(N)CC2)cc1
InChIInChI=1S/C22H35N3O/c1-17(26)24-21-11-7-19(8-12-21)16-25(15-18-5-3-2-4-6-18)22-13-9-20(23)10-14-22/h7-8,11-12,18,20,22H,2-6,9-10,13-16,23H2,1H3,(H,24,26)
InChIKeySTJCICRQICKGFP-UHFFFAOYSA-N
XLogP4.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(4-aminocyclohexyl)-(1,3-benzodioxol-5-ylmethyl)amino]methyl]phenyl]acetamide
CID 23825297
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
4-N-(cyclohexylmethyl)-4-N-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23734149
2-(4-acetamidophenyl)-N-cyclopentyloxyacetamide
CID 83202703
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 79114144
N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine
CID 112840908
2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52684884
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine
CID 103438455
N-[4-(4-cyclobutylbutyl)phenyl]acetamide
CID 130280678
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide (CID 23853695) is N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN(CC2CCCCC2)C2CCC(N)CC2)cc1.
What is the InChIKey of N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide?
The InChIKey is STJCICRQICKGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-17(26)24-21-11-7-19(8-12-21)16-25(15-18-5-3-2-4-6-18)22-13-9-20(23)10-14-22/h7-8,11-12,18,20,22H,2-6,9-10,13-16,23H2,1H3,(H,24,26).
What are the key properties of N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide?
N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide has a molecular weight of 357.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 23853695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).