methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate

C16H22N2O5 — CID 119748523

IUPACmethyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C)c(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C16H22N2O5/c1-10(2)23-13-5-4-11(16(20)21-3)8-12(13)18-15(19)14-9-17-6-7-22-14/h4-5,8,10,14,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyWKXCXFDSNQEBTI-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.19
Rot. Bonds5

About methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate

methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate (PubChem CID 119748523) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
PubChem CID119748523
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C)c(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C16H22N2O5/c1-10(2)23-13-5-4-11(16(20)21-3)8-12(13)18-15(19)14-9-17-6-7-22-14/h4-5,8,10,14,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyWKXCXFDSNQEBTI-UHFFFAOYSA-N
XLogP1.19
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119673723
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-[2-(1-phenylethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792514
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
CID 119819637
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-(5-chloro-2-propoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119725674
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752

Frequently Asked Questions

What is the IUPAC name of methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate (CID 119748523) is methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate is COC(=O)c1ccc(OC(C)C)c(NC(=O)C2CNCCO2)c1.
What is the InChIKey of methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate?
The InChIKey is WKXCXFDSNQEBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-10(2)23-13-5-4-11(16(20)21-3)8-12(13)18-15(19)14-9-17-6-7-22-14/h4-5,8,10,14,17H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate?
methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate has a molecular weight of 322.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate is sourced from PubChem (CID 119748523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).