N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide

C22H35N3O5 — CID 55629295

IUPACN-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCCN2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C22H35N3O5/c1-5-28-19-9-8-18(12-20(19)29-6-2)22(27)24-13-21(26)23-10-7-11-25-14-16(3)30-17(4)15-25/h8-9,12,16-17H,5-7,10-11,13-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyFMIKOAVCAAZWNB-UHFFFAOYSA-N
MW421.54 g/mol
LogP1.83
Rot. Bonds11

About N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 55629295) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID55629295
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC NameN-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCCN2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C22H35N3O5/c1-5-28-19-9-8-18(12-20(19)29-6-2)22(27)24-13-21(26)23-10-7-11-25-14-16(3)30-17(4)15-25/h8-9,12,16-17H,5-7,10-11,13-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyFMIKOAVCAAZWNB-UHFFFAOYSA-N
XLogP1.83
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
CID 51953209
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
CID 55629039
4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 35417368
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-ethoxy-3-nitrobenzamide
CID 51953657
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580341
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide (CID 55629295) is N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NCCCN2CC(C)OC(C)C2)cc1OCC.
What is the InChIKey of N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is FMIKOAVCAAZWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5/c1-5-28-19-9-8-18(12-20(19)29-6-2)22(27)24-13-21(26)23-10-7-11-25-14-16(3)30-17(4)15-25/h8-9,12,16-17H,5-7,10-11,13-15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 421.54 g/mol, XLogP of 1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 55629295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).