N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide

C16H24N2O3 — CID 110421778

IUPACN-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCOCC1(C)C
InChIInChI=1S/C16H24N2O3/c1-16(2)12-21-11-10-18(16)15(19)17-9-8-13-6-4-5-7-14(13)20-3/h4-7H,8-12H2,1-3H3,(H,17,19)
InChIKeyBHXXHYAZJBRTRJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide (PubChem CID 110421778) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide
PubChem CID110421778
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCOCC1(C)C
InChIInChI=1S/C16H24N2O3/c1-16(2)12-21-11-10-18(16)15(19)17-9-8-13-6-4-5-7-14(13)20-3/h4-7H,8-12H2,1-3H3,(H,17,19)
InChIKeyBHXXHYAZJBRTRJ-UHFFFAOYSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxomorpholin-4-yl)acetamide
CID 100737212
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
N-[2-(2-methoxyphenyl)ethyl]-6-morpholin-4-yl-2,3-dihydroindole-1-carboxamide
CID 110634499
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
4-(adamantane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 47016204
4-benzylsulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539558
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide (CID 110421778) is N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide is COc1ccccc1CCNC(=O)N1CCOCC1(C)C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide?
The InChIKey is BHXXHYAZJBRTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2)12-21-11-10-18(16)15(19)17-9-8-13-6-4-5-7-14(13)20-3/h4-7H,8-12H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 110421778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).