(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide

C18H26N2O3 — CID 97333817

IUPAC(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
SMILESC[C@@H]1CCOCCN1C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-14-10-12-22-13-11-20(14)18(21)19-15-6-8-17(9-7-15)23-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyQXSKZDRKDKLCCL-CQSZACIVSA-N
MW318.42 g/mol
LogP3.65
Rot. Bonds3

About (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide

(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 97333817) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
PubChem CID97333817
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
SMILESC[C@@H]1CCOCCN1C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-14-10-12-22-13-11-20(14)18(21)19-15-6-8-17(9-7-15)23-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyQXSKZDRKDKLCCL-CQSZACIVSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-(4-cyclopentyloxyphenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99828953
N-(4-chloro-3-methoxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 136537892
(3R)-N-(4-cyclopentyloxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014789
N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide
CID 136559253
1-[(4-cyclopentyloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075770
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide (CID 97333817) is (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide is C[C@@H]1CCOCCN1C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is QXSKZDRKDKLCCL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-10-12-22-13-11-20(14)18(21)19-15-6-8-17(9-7-15)23-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide?
(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 97333817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).