4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide

C23H37N3O3 — CID 55629039

IUPAC4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
SMILESCC1CN(CCCNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC(C)O1
InChIInChI=1S/C23H37N3O3/c1-17-15-26(16-18(2)29-17)14-6-12-24-21(27)11-13-25-22(28)19-7-9-20(10-8-19)23(3,4)5/h7-10,17-18H,6,11-16H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyBIXJQGYLARJVCX-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.72
Rot. Bonds8

About 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide (PubChem CID 55629039) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
PubChem CID55629039
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
SMILESCC1CN(CCCNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC(C)O1
InChIInChI=1S/C23H37N3O3/c1-17-15-26(16-18(2)29-17)14-6-12-24-21(27)11-13-25-22(28)19-7-9-20(10-8-19)23(3,4)5/h7-10,17-18H,6,11-16H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyBIXJQGYLARJVCX-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
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
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55629295
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
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
tert-butyl N-[3-[3-[(4-tert-butylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921611
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 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide (CID 55629039) is 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide is CC1CN(CCCNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC(C)O1.
What is the InChIKey of 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide?
The InChIKey is BIXJQGYLARJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-17-15-26(16-18(2)29-17)14-6-12-24-21(27)11-13-25-22(28)19-7-9-20(10-8-19)23(3,4)5/h7-10,17-18H,6,11-16H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide has a molecular weight of 403.57 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55629039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).