2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide

C19H22N2O3 — CID 166249060

IUPAC2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)N[C@H]1COC[C@H]1O
InChIInChI=1S/C19H22N2O3/c22-18-14-24-13-17(18)20-19(23)12-21(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,17-18,22H,11-14H2,(H,20,23)/t17-,18+/m0/s1
InChIKeyYBJZSVREBCHSOZ-ZWKOTPCHSA-N
MW326.40 g/mol
LogP1.57
Rot. Bonds6

About 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide

2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide (PubChem CID 166249060) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide
PubChem CID166249060
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)N[C@H]1COC[C@H]1O
InChIInChI=1S/C19H22N2O3/c22-18-14-24-13-17(18)20-19(23)12-21(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,17-18,22H,11-14H2,(H,20,23)/t17-,18+/m0/s1
InChIKeyYBJZSVREBCHSOZ-ZWKOTPCHSA-N
XLogP1.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
CID 75390361
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
CID 109010688
4-(dibenzylamino)oxolan-3-ol
CID 130502990
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
2-(N-benzyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18144578
2-hydroxy-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130676245
N,N-dibenzylaniline
CID 139071697

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide?
The IUPAC name of 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide (CID 166249060) is 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide is O=C(CN(Cc1ccccc1)c1ccccc1)N[C@H]1COC[C@H]1O.
What is the InChIKey of 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide?
The InChIKey is YBJZSVREBCHSOZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18-14-24-13-17(18)20-19(23)12-21(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,17-18,22H,11-14H2,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide?
2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide is sourced from PubChem (CID 166249060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).