N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide

C17H24N2O4 — CID 110106977

IUPACN,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2ccc(OC(C)C)cc2)CCO1
InChIInChI=1S/C17H24N2O4/c1-12(2)23-14-7-5-13(6-8-14)15(20)19-9-10-22-17(3,11-19)16(21)18-4/h5-8,12H,9-11H2,1-4H3,(H,18,21)
InChIKeyLECVSAPEZMGFBX-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.45
Rot. Bonds4

About N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide

N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide (PubChem CID 110106977) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
PubChem CID110106977
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2ccc(OC(C)C)cc2)CCO1
InChIInChI=1S/C17H24N2O4/c1-12(2)23-14-7-5-13(6-8-14)15(20)19-9-10-22-17(3,11-19)16(21)18-4/h5-8,12H,9-11H2,1-4H3,(H,18,21)
InChIKeyLECVSAPEZMGFBX-UHFFFAOYSA-N
XLogP1.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110106963
(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 124978041
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
CID 46299696
(2R)-N,2-dimethyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine-2-carboxamide
CID 124986885
(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839493
(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide
CID 95839532
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318256
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide?
The IUPAC name of N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide (CID 110106977) is N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide?
The canonical SMILES for N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide is CNC(=O)C1(C)CN(C(=O)c2ccc(OC(C)C)cc2)CCO1.
What is the InChIKey of N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide?
The InChIKey is LECVSAPEZMGFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)23-14-7-5-13(6-8-14)15(20)19-9-10-22-17(3,11-19)16(21)18-4/h5-8,12H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide?
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide is sourced from PubChem (CID 110106977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).