N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide

C16H24N2O3 — CID 171883824

IUPACN-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)17-8-7-15(20)16(21)13-5-4-6-14(11-13)18-9-2-3-10-18/h4-6,11,15-16,20-21H,2-3,7-10H2,1H3,(H,17,19)
InChIKeyGBOKGTXMPWBNKQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds6

About N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide

N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide (PubChem CID 171883824) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide
PubChem CID171883824
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)17-8-7-15(20)16(21)13-5-4-6-14(11-13)18-9-2-3-10-18/h4-6,11,15-16,20-21H,2-3,7-10H2,1H3,(H,17,19)
InChIKeyGBOKGTXMPWBNKQ-UHFFFAOYSA-N
XLogP1.21
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol
CID 171891043
3,4-dihydroxy-4-(3-piperidin-1-ylphenyl)butanoic acid
CID 171878501
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol
CID 170828843
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[3,4-dihydroxy-4-[3-(sulfanylmethyl)phenyl]butyl]acetamide
CID 171882570
N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide
CID 171883380
N-[4-(3-cyanophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882773
2,3-dihydroxy-3-(3-pyrrolidin-1-ylphenyl)propanoic acid
CID 170824731
N-[4-[3-(2-aminoethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171883105
N-[3,4-dihydroxy-4-(3-nitrophenyl)butyl]acetamide
CID 171883148
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide (CID 171883824) is N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide is CC(=O)NCCC(O)C(O)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide?
The InChIKey is GBOKGTXMPWBNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)17-8-7-15(20)16(21)13-5-4-6-14(11-13)18-9-2-3-10-18/h4-6,11,15-16,20-21H,2-3,7-10H2,1H3,(H,17,19).
What are the key properties of N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide?
N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide is sourced from PubChem (CID 171883824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).