N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

C14H18N2O4 — CID 106672145

IUPACN-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-4-2-3-5-11(10)15-14(20)8-16-6-12(18)13(19)7-16/h2-5,12-13,18-19H,6-8H2,1H3,(H,15,20)
InChIKeyBIDPEEBPZLPCEX-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.13
Rot. Bonds4

About N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (PubChem CID 106672145) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
PubChem CID106672145
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-4-2-3-5-11(10)15-14(20)8-16-6-12(18)13(19)7-16/h2-5,12-13,18-19H,6-8H2,1H3,(H,15,20)
InChIKeyBIDPEEBPZLPCEX-UHFFFAOYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 122138586
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(2-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512402
(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95150425
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (CID 106672145) is N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is CC(=O)c1ccccc1NC(=O)CN1CC(O)C(O)C1.
What is the InChIKey of N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The InChIKey is BIDPEEBPZLPCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)10-4-2-3-5-11(10)15-14(20)8-16-6-12(18)13(19)7-16/h2-5,12-13,18-19H,6-8H2,1H3,(H,15,20).
What are the key properties of N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 106672145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).