2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide

C24H31NO4 — CID 58798025

IUPAC2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide
SMILESCOC1CCC(O)(C(C(=O)N(C)C)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31NO4/c1-25(2)23(26)22(24(27)15-13-20(28-3)14-16-24)19-9-11-21(12-10-19)29-17-18-7-5-4-6-8-18/h4-12,20,22,27H,13-17H2,1-3H3
InChIKeyXMESIBBBCLOZOM-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.76
Rot. Bonds7

About 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide

2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 58798025) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID58798025
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide
SMILESCOC1CCC(O)(C(C(=O)N(C)C)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31NO4/c1-25(2)23(26)22(24(27)15-13-20(28-3)14-16-24)19-9-11-21(12-10-19)29-17-18-7-5-4-6-8-18/h4-12,20,22,27H,13-17H2,1-3H3
InChIKeyXMESIBBBCLOZOM-UHFFFAOYSA-N
XLogP3.76
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[(3S)-1-[2-(1-hydroxycyclohexyl)-2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-3-yl]carbamic acid
CID 68855544
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
butyl 4-[2-(1-hydroxycyclobutyl)-2-(4-phenylmethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 154061296
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
N-hydroxy-2-methyl-N-[1-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 14156768
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 72817720
1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 11363941
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide (CID 58798025) is 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide is COC1CCC(O)(C(C(=O)N(C)C)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is XMESIBBBCLOZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-25(2)23(26)22(24(27)15-13-20(28-3)14-16-24)19-9-11-21(12-10-19)29-17-18-7-5-4-6-8-18/h4-12,20,22,27H,13-17H2,1-3H3.
What are the key properties of 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide?
2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-methoxycyclohexyl)-N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 58798025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).