4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

C23H28N2O4 — CID 17194765

IUPAC4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(2)11-14-29-21-9-5-18(6-10-21)22(26)24-20-7-3-19(4-8-20)23(27)25-12-15-28-16-13-25/h3-10,17H,11-16H2,1-2H3,(H,24,26)
InChIKeyULKSYVWCUVZXOT-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.84
Rot. Bonds7

About 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 17194765) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID17194765
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(2)11-14-29-21-9-5-18(6-10-21)22(26)24-20-7-3-19(4-8-20)23(27)25-12-15-28-16-13-25/h3-10,17H,11-16H2,1-2H3,(H,24,26)
InChIKeyULKSYVWCUVZXOT-UHFFFAOYSA-N
XLogP3.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194786
2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832218
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179710
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (CID 17194765) is 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is ULKSYVWCUVZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(2)11-14-29-21-9-5-18(6-10-21)22(26)24-20-7-3-19(4-8-20)23(27)25-12-15-28-16-13-25/h3-10,17H,11-16H2,1-2H3,(H,24,26).
What are the key properties of 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17194765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).