N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide

C25H33ClN2O2 — CID 66994392

IUPACN-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)c1
InChIInChI=1S/C25H33ClN2O2/c1-28(2)25(21-11-13-22(26)14-12-21)20-9-7-18(8-10-20)17-27-24(29)16-19-5-4-6-23(15-19)30-3/h4-6,11-15,18,20,25H,7-10,16-17H2,1-3H3,(H,27,29)
InChIKeyRGYLVYNBZQOHEI-UHFFFAOYSA-N
MW429.00 g/mol
LogP5.12
Rot. Bonds8

About N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide

N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 66994392) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide
PubChem CID66994392
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC NameN-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)c1
InChIInChI=1S/C25H33ClN2O2/c1-28(2)25(21-11-13-22(26)14-12-21)20-9-7-18(8-10-20)17-27-24(29)16-19-5-4-6-23(15-19)30-3/h4-6,11-15,18,20,25H,7-10,16-17H2,1-3H3,(H,27,29)
InChIKeyRGYLVYNBZQOHEI-UHFFFAOYSA-N
XLogP5.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.00
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
2-bromo-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]benzamide
CID 66993402
2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66703268
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
CID 66994456
N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98136069
N-[[4-[dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 110241959
N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 66994303
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide (CID 66994392) is N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)c1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is RGYLVYNBZQOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c1-28(2)25(21-11-13-22(26)14-12-21)20-9-7-18(8-10-20)17-27-24(29)16-19-5-4-6-23(15-19)30-3/h4-6,11-15,18,20,25H,7-10,16-17H2,1-3H3,(H,27,29).
What are the key properties of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide?
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 429.00 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 66994392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).