3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C25H32N2O3 — CID 17179710

IUPAC3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C25H32N2O3/c1-18(2)13-16-30-23-6-4-5-21(17-23)24(28)26-22-9-7-20(8-10-22)25(29)27-14-11-19(3)12-15-27/h4-10,17-19H,11-16H2,1-3H3,(H,26,28)
InChIKeyVVTUPSXHZJNKOB-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.24
Rot. Bonds7

About 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 17179710) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID17179710
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C25H32N2O3/c1-18(2)13-16-30-23-6-4-5-21(17-23)24(28)26-22-9-7-20(8-10-22)25(29)27-14-11-19(3)12-15-27/h4-10,17-19H,11-16H2,1-3H3,(H,26,28)
InChIKeyVVTUPSXHZJNKOB-UHFFFAOYSA-N
XLogP5.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103
3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179701
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
3-ethoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179847
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 17179710) is 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC(C)CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is VVTUPSXHZJNKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(2)13-16-30-23-6-4-5-21(17-23)24(28)26-22-9-7-20(8-10-22)25(29)27-14-11-19(3)12-15-27/h4-10,17-19H,11-16H2,1-3H3,(H,26,28).
What are the key properties of 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 408.54 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17179710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).