2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide

C21H34N2O4 — CID 119108457

IUPAC2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(CNCC2(O)CCCCC2)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C21H34N2O4/c1-5-26-19-13-17(14-22-15-21(25)11-7-6-8-12-21)9-10-18(19)27-16(2)20(24)23(3)4/h9-10,13,16,22,25H,5-8,11-12,14-15H2,1-4H3
InChIKeyFDCCANVFXCAXDA-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.73
Rot. Bonds9

About 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide

2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 119108457) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID119108457
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(CNCC2(O)CCCCC2)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C21H34N2O4/c1-5-26-19-13-17(14-22-15-21(25)11-7-6-8-12-21)9-10-18(19)27-16(2)20(24)23(3)4/h9-10,13,16,22,25H,5-8,11-12,14-15H2,1-4H3
InChIKeyFDCCANVFXCAXDA-UHFFFAOYSA-N
XLogP2.73
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479
2-[4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide
CID 32662343
(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 97101119
(2S)-2-[2-ethoxy-4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 32665247
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43278795
4-[5-[[(1-hydroxycyclohexyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 56823435
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208536
2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278181
1-[[[4-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 26402035

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide (CID 119108457) is 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide is CCOc1cc(CNCC2(O)CCCCC2)ccc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is FDCCANVFXCAXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-5-26-19-13-17(14-22-15-21(25)11-7-6-8-12-21)9-10-18(19)27-16(2)20(24)23(3)4/h9-10,13,16,22,25H,5-8,11-12,14-15H2,1-4H3.
What are the key properties of 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide?
2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 378.51 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 119108457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).