(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide

C18H28N2O4 — CID 95086958

IUPAC(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1ccc(CCCNC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-13-11-20(12-14(2)24-13)18(21)19-9-5-6-15-7-8-16(22-3)17(10-15)23-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyCNCNIXYXVMYOGG-KBPBESRZSA-N
MW336.43 g/mol
LogP2.46
Rot. Bonds6

About (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide

(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 95086958) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID95086958
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1ccc(CCCNC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-13-11-20(12-14(2)24-13)18(21)19-9-5-6-15-7-8-16(22-3)17(10-15)23-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyCNCNIXYXVMYOGG-KBPBESRZSA-N
XLogP2.46
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 48568258
N-[3-(3,4-dimethoxyphenyl)propyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 136514338
N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 86979197
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
1-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122002866
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154491
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111574324
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide (CID 95086958) is (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide is COc1ccc(CCCNC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC.
What is the InChIKey of (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is CNCNIXYXVMYOGG-KBPBESRZSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-11-20(12-14(2)24-13)18(21)19-9-5-6-15-7-8-16(22-3)17(10-15)23-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide?
(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 95086958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).