N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide

C17H26N2O2 — CID 64561866

IUPACN-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-16-12-13(2)8-9-14(16)19-17(20)15-7-5-4-6-10-18-15/h8-9,12,15,18H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyGMBATAALFHDYBO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.25
Rot. Bonds5

About N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide

N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide (PubChem CID 64561866) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
PubChem CID64561866
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-16-12-13(2)8-9-14(16)19-17(20)15-7-5-4-6-10-18-15/h8-9,12,15,18H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyGMBATAALFHDYBO-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
3-methyl-N-(4-methyl-2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 102778369
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434865
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide (CID 64561866) is N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide is CCCOc1cc(C)ccc1NC(=O)C1CCCCCN1.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide?
The InChIKey is GMBATAALFHDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-21-16-12-13(2)8-9-14(16)19-17(20)15-7-5-4-6-10-18-15/h8-9,12,15,18H,3-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide?
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide is sourced from PubChem (CID 64561866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).