methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate

C14H18N2O4 — CID 78927184

IUPACmethyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2cccc(C)c2)CCO1
InChIInChI=1S/C14H18N2O4/c1-10-4-3-5-11(8-10)15-14(18)16-6-7-20-12(9-16)13(17)19-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyZUVCZKJQAKBVKR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.40
Rot. Bonds2

About methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate

methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate (PubChem CID 78927184) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
PubChem CID78927184
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2cccc(C)c2)CCO1
InChIInChI=1S/C14H18N2O4/c1-10-4-3-5-11(8-10)15-14(18)16-6-7-20-12(9-16)13(17)19-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyZUVCZKJQAKBVKR-UHFFFAOYSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
cis-methyl (1R,2S)-2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylate
CID 125129936
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
CID 78926667
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate (CID 78927184) is methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)Nc2cccc(C)c2)CCO1.
What is the InChIKey of methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate?
The InChIKey is ZUVCZKJQAKBVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-4-3-5-11(8-10)15-14(18)16-6-7-20-12(9-16)13(17)19-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate?
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate is sourced from PubChem (CID 78927184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).