4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide

C14H20N2O4 — CID 171883542

IUPAC4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(O)C(O)CCNC(C)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(17)16-8-7-12(18)13(19)10-3-5-11(6-4-10)14(20)15-2/h3-6,12-13,18-19H,7-8H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyOOLAHUHSSVAPOJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.03
Rot. Bonds6

About 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide

4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide (PubChem CID 171883542) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
PubChem CID171883542
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(O)C(O)CCNC(C)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(17)16-8-7-12(18)13(19)10-3-5-11(6-4-10)14(20)15-2/h3-6,12-13,18-19H,7-8H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyOOLAHUHSSVAPOJ-UHFFFAOYSA-N
XLogP-0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3,4-dihydroxy-4-[4-(methylcarbamoyl)phenyl]butyl]carbamate
CID 171888918
N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
CID 171882991
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
4-(4-acetamido-1,2-dihydroxybutyl)benzenesulfonyl fluoride
CID 171883365
ethyl 4-[4-(4-acetamido-1,2-dihydroxybutyl)phenyl]-4-oxobutanoate
CID 171884080
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830453
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide?
The IUPAC name of 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide (CID 171883542) is 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide?
The canonical SMILES for 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide is CNC(=O)c1ccc(C(O)C(O)CCNC(C)=O)cc1.
What is the InChIKey of 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide?
The InChIKey is OOLAHUHSSVAPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(17)16-8-7-12(18)13(19)10-3-5-11(6-4-10)14(20)15-2/h3-6,12-13,18-19H,7-8H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide?
4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide has a molecular weight of 280.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide is sourced from PubChem (CID 171883542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).