3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide

C23H38N2O3 — CID 55930556

IUPAC3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CCC2CCCCC2)cc1OC
InChIInChI=1S/C23H38N2O3/c1-4-25(5-2)15-16-28-21-13-11-20(17-22(21)27-3)18-24-23(26)14-12-19-9-7-6-8-10-19/h11,13,17,19H,4-10,12,14-16,18H2,1-3H3,(H,24,26)
InChIKeyXHUBMMDGHIVNDL-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.39
Rot. Bonds12

About 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide

3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide (PubChem CID 55930556) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
PubChem CID55930556
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CCC2CCCCC2)cc1OC
InChIInChI=1S/C23H38N2O3/c1-4-25(5-2)15-16-28-21-13-11-20(17-22(21)27-3)18-24-23(26)14-12-19-9-7-6-8-10-19/h11,13,17,19H,4-10,12,14-16,18H2,1-3H3,(H,24,26)
InChIKeyXHUBMMDGHIVNDL-UHFFFAOYSA-N
XLogP4.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
1-(cyclopropylmethyl)-3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylguanidine;hydroiodide
CID 111867427
N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55930691
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55932224
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 55656409
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide (CID 55930556) is 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide is CCN(CC)CCOc1ccc(CNC(=O)CCC2CCCCC2)cc1OC.
What is the InChIKey of 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide?
The InChIKey is XHUBMMDGHIVNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-4-25(5-2)15-16-28-21-13-11-20(17-22(21)27-3)18-24-23(26)14-12-19-9-7-6-8-10-19/h11,13,17,19H,4-10,12,14-16,18H2,1-3H3,(H,24,26).
What are the key properties of 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide?
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide has a molecular weight of 390.57 g/mol, XLogP of 4.39, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide is sourced from PubChem (CID 55930556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).