2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide

C19H28N2O3 — CID 86769703

IUPAC2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
SMILESCOc1ccccc1NCC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-23-17-8-4-3-7-16(17)20-14-18(22)21-15-9-12-24-19(13-15)10-5-2-6-11-19/h3-4,7-8,15,20H,2,5-6,9-14H2,1H3,(H,21,22)
InChIKeyHJTLPXKAKLMLNB-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide

2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 86769703) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
PubChem CID86769703
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
SMILESCOc1ccccc1NCC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-23-17-8-4-3-7-16(17)20-14-18(22)21-15-9-12-24-19(13-15)10-5-2-6-11-19/h3-4,7-8,15,20H,2,5-6,9-14H2,1H3,(H,21,22)
InChIKeyHJTLPXKAKLMLNB-UHFFFAOYSA-N
XLogP3.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-oxaspiro[5.5]undecan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71968225
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
1-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-3-(3-phenylprop-2-ynyl)urea
CID 97235497
N-[1-(aminomethyl)cyclopentyl]-2-(2-methoxyanilino)acetamide
CID 119565547
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896577
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 99775994
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86770976

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide (CID 86769703) is 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide is COc1ccccc1NCC(=O)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is HJTLPXKAKLMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-8-4-3-7-16(17)20-14-18(22)21-15-9-12-24-19(13-15)10-5-2-6-11-19/h3-4,7-8,15,20H,2,5-6,9-14H2,1H3,(H,21,22).
What are the key properties of 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(1-oxaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 86769703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).