methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate

C19H28N2O4 — CID 122133360

IUPACmethyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)NC(C)CC(C)(C)c2ccccc2)CCO1
InChIInChI=1S/C19H28N2O4/c1-14(12-19(2,3)15-8-6-5-7-9-15)20-18(23)21-10-11-25-16(13-21)17(22)24-4/h5-9,14,16H,10-13H2,1-4H3,(H,20,23)
InChIKeyHMFOXKSACLBJJT-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.33
Rot. Bonds5

About methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate

methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate (PubChem CID 122133360) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
PubChem CID122133360
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)NC(C)CC(C)(C)c2ccccc2)CCO1
InChIInChI=1S/C19H28N2O4/c1-14(12-19(2,3)15-8-6-5-7-9-15)20-18(23)21-10-11-25-16(13-21)17(22)24-4/h5-9,14,16H,10-13H2,1-4H3,(H,20,23)
InChIKeyHMFOXKSACLBJJT-UHFFFAOYSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate with MolForge

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Related Compounds

4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
CID 124777171
(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
CID 107828590
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 115535345
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 124616800
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875407
methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate
CID 122132801
methyl (2R)-4-[(2R)-1-benzylpyrrolidine-2-carbonyl]morpholine-2-carboxylate
CID 124527886

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate (CID 122133360) is methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)NC(C)CC(C)(C)c2ccccc2)CCO1.
What is the InChIKey of methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate?
The InChIKey is HMFOXKSACLBJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(12-19(2,3)15-8-6-5-7-9-15)20-18(23)21-10-11-25-16(13-21)17(22)24-4/h5-9,14,16H,10-13H2,1-4H3,(H,20,23).
What are the key properties of methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate?
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate is sourced from PubChem (CID 122133360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).