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

C25H32N2O3 — CID 17199103

IUPACN-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C25H32N2O3/c1-19(2)14-17-30-23-9-7-8-21(18-23)24(28)26-22-12-10-20(11-13-22)25(29)27-15-5-3-4-6-16-27/h7-13,18-19H,3-6,14-17H2,1-2H3,(H,26,28)
InChIKeyYFBMJWRICSLLTH-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.38
Rot. Bonds7

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

N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide (PubChem CID 17199103) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
PubChem CID17199103
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C25H32N2O3/c1-19(2)14-17-30-23-9-7-8-21(18-23)24(28)26-22-12-10-20(11-13-22)25(29)27-15-5-3-4-6-16-27/h7-13,18-19H,3-6,14-17H2,1-2H3,(H,26,28)
InChIKeyYFBMJWRICSLLTH-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179710
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168534
3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 100750028
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide (CID 17199103) is N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide is CC(C)CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide?
The InChIKey is YFBMJWRICSLLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19(2)14-17-30-23-9-7-8-21(18-23)24(28)26-22-12-10-20(11-13-22)25(29)27-15-5-3-4-6-16-27/h7-13,18-19H,3-6,14-17H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide?
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide has a molecular weight of 408.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17199103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).