[4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate

C27H34N2O4 — CID 176532275

IUPAC[4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate
SMILESC=C=C(NCC1(c2ccccc2)CCC(OC(=O)NC(C)CO)CC1)c1ccccc1OC
InChIInChI=1S/C27H34N2O4/c1-4-24(23-12-8-9-13-25(23)32-3)28-19-27(21-10-6-5-7-11-21)16-14-22(15-17-27)33-26(31)29-20(2)18-30/h5-13,20,22,28,30H,1,14-19H2,2-3H3,(H,29,31)
InChIKeyDBNZSZWRHFXQLZ-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.40
Rot. Bonds9

About [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate

[4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate (PubChem CID 176532275) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Name[4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate
PubChem CID176532275
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name[4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate
SMILESC=C=C(NCC1(c2ccccc2)CCC(OC(=O)NC(C)CO)CC1)c1ccccc1OC
InChIInChI=1S/C27H34N2O4/c1-4-24(23-12-8-9-13-25(23)32-3)28-19-27(21-10-6-5-7-11-21)16-14-22(15-17-27)33-26(31)29-20(2)18-30/h5-13,20,22,28,30H,1,14-19H2,2-3H3,(H,29,31)
InChIKeyDBNZSZWRHFXQLZ-UHFFFAOYSA-N
XLogP4.40
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate with MolForge

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Related Compounds

propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
[4-[[1-(2-methylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl] N-(3-hydroxypropyl)carbamate
CID 89204009
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
3-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]propyl propanoate
CID 20596135
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
CID 54069418
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
CID 54173169
2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842388
[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate
CID 177371469

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate?
The IUPAC name of [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate (CID 176532275) is [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate?
The canonical SMILES for [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate is C=C=C(NCC1(c2ccccc2)CCC(OC(=O)NC(C)CO)CC1)c1ccccc1OC.
What is the InChIKey of [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate?
The InChIKey is DBNZSZWRHFXQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-4-24(23-12-8-9-13-25(23)32-3)28-19-27(21-10-6-5-7-11-21)16-14-22(15-17-27)33-26(31)29-20(2)18-30/h5-13,20,22,28,30H,1,14-19H2,2-3H3,(H,29,31).
What are the key properties of [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate?
[4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate has a molecular weight of 450.58 g/mol, XLogP of 4.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 176532275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).