4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide

C16H22N2O4 — CID 49418283

IUPAC4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
SMILESCc1cccc(OCCC(=O)N2CCOC(C(N)=O)C2)c1C
InChIInChI=1S/C16H22N2O4/c1-11-4-3-5-13(12(11)2)21-8-6-15(19)18-7-9-22-14(10-18)16(17)20/h3-5,14H,6-10H2,1-2H3,(H2,17,20)
InChIKeyNXAVSMDYYOPPNJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.79
Rot. Bonds5

About 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide

4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide (PubChem CID 49418283) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
PubChem CID49418283
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
SMILESCc1cccc(OCCC(=O)N2CCOC(C(N)=O)C2)c1C
InChIInChI=1S/C16H22N2O4/c1-11-4-3-5-13(12(11)2)21-8-6-15(19)18-7-9-22-14(10-18)16(17)20/h3-5,14H,6-10H2,1-2H3,(H2,17,20)
InChIKeyNXAVSMDYYOPPNJ-UHFFFAOYSA-N
XLogP0.79
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
CID 94371112
(3S)-1-[3-(2,3-dimethylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 129368712
4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239122
3-(2,3-dimethylphenoxy)-1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 124613323
4-[3-(2,3-dimethylphenoxy)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 86983544
3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one
CID 113375704
3-(2,3-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 55595949
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(2,3-dimethylphenoxy)propan-1-one
CID 120749088
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3-(2,3-dimethylphenoxy)propan-1-one;hydrochloride
CID 120810524
1-(1,4-diazepan-1-yl)-3-(2,3-dimethylphenoxy)propan-1-one;hydrochloride
CID 119418568
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(2,3-dimethylphenoxy)propan-1-one
CID 120744734
3-(2,3-dimethylphenoxy)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95283546

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide (CID 49418283) is 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide is Cc1cccc(OCCC(=O)N2CCOC(C(N)=O)C2)c1C.
What is the InChIKey of 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide?
The InChIKey is NXAVSMDYYOPPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-4-3-5-13(12(11)2)21-8-6-15(19)18-7-9-22-14(10-18)16(17)20/h3-5,14H,6-10H2,1-2H3,(H2,17,20).
What are the key properties of 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide?
4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 49418283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).