N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide

C19H26N2O4 — CID 95290042

IUPACN-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide
SMILESO=C(COc1ccc(O[C@@H]2CCCCNC2=O)cc1)NC1CCCC1
InChIInChI=1S/C19H26N2O4/c22-18(21-14-5-1-2-6-14)13-24-15-8-10-16(11-9-15)25-17-7-3-4-12-20-19(17)23/h8-11,14,17H,1-7,12-13H2,(H,20,23)(H,21,22)/t17-/m1/s1
InChIKeyABWFSSIUGHGVAZ-QGZVFWFLSA-N
MW346.43 g/mol
LogP2.17
Rot. Bonds6

About N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide

N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide (PubChem CID 95290042) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide
PubChem CID95290042
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide
SMILESO=C(COc1ccc(O[C@@H]2CCCCNC2=O)cc1)NC1CCCC1
InChIInChI=1S/C19H26N2O4/c22-18(21-14-5-1-2-6-14)13-24-15-8-10-16(11-9-15)25-17-7-3-4-12-20-19(17)23/h8-11,14,17H,1-7,12-13H2,(H,20,23)(H,21,22)/t17-/m1/s1
InChIKeyABWFSSIUGHGVAZ-QGZVFWFLSA-N
XLogP2.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1313853
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
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CID 2788426
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
CID 130340818

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide (CID 95290042) is N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide is O=C(COc1ccc(O[C@@H]2CCCCNC2=O)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide?
The InChIKey is ABWFSSIUGHGVAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-18(21-14-5-1-2-6-14)13-24-15-8-10-16(11-9-15)25-17-7-3-4-12-20-19(17)23/h8-11,14,17H,1-7,12-13H2,(H,20,23)(H,21,22)/t17-/m1/s1.
What are the key properties of N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide?
N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide is sourced from PubChem (CID 95290042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).