4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

C18H27N3O3 — CID 109045886

IUPAC4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)20-17(23)15-6-4-14(5-7-15)16(22)19-8-9-21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyABBCUPBVYSVLAY-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.28
Rot. Bonds5

About 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109045886) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109045886
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)20-17(23)15-6-4-14(5-7-15)16(22)19-8-9-21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyABBCUPBVYSVLAY-UHFFFAOYSA-N
XLogP1.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
4-[(2-amino-2-methylpentanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865137
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109045886) is 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is ABBCUPBVYSVLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)20-17(23)15-6-4-14(5-7-15)16(22)19-8-9-21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).