(3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide

C18H28N2O3 — CID 136581270

IUPAC(3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide
SMILESCC(C)COc1ccc(CCNC(=O)N2CCOC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)12-23-17-6-4-16(5-7-17)8-9-19-18(21)20-10-11-22-13-15(20)3/h4-7,14-15H,8-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyFPTZPNXSGQKXME-OAHLLOKOSA-N
MW320.43 g/mol
LogP2.69
Rot. Bonds6

About (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide

(3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide (PubChem CID 136581270) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide
PubChem CID136581270
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide
SMILESCC(C)COc1ccc(CCNC(=O)N2CCOC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)12-23-17-6-4-16(5-7-17)8-9-19-18(21)20-10-11-22-13-15(20)3/h4-7,14-15H,8-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyFPTZPNXSGQKXME-OAHLLOKOSA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]oxane-4-carboxamide;hydrochloride
CID 120931729
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 94052563
3-(4-ethoxyphenyl)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 95326565
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide
CID 72688518
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
N'-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111984306
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide
CID 71985639
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
(5R)-N-[(2R)-1-(4-fluorophenoxy)propan-2-yl]-5-methyl-1,4-oxazepane-4-carboxamide
CID 97128552
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide (CID 136581270) is (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide is CC(C)COc1ccc(CCNC(=O)N2CCOC[C@H]2C)cc1.
What is the InChIKey of (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide?
The InChIKey is FPTZPNXSGQKXME-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)12-23-17-6-4-16(5-7-17)8-9-19-18(21)20-10-11-22-13-15(20)3/h4-7,14-15H,8-13H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide?
(3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 136581270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).