6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid

C20H24N2O4 — CID 66831335

IUPAC6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H24N2O4/c23-18(21-14-5-1-2-11-20(25)26)12-13-19(24)22-17-10-6-8-15-7-3-4-9-16(15)17/h3-4,6-10H,1-2,5,11-14H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyXNCLPKHVNZQTDW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.32
Rot. Bonds10

About 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid

6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid (PubChem CID 66831335) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
PubChem CID66831335
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H24N2O4/c23-18(21-14-5-1-2-11-20(25)26)12-13-19(24)22-17-10-6-8-15-7-3-4-9-16(15)17/h3-4,6-10H,1-2,5,11-14H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyXNCLPKHVNZQTDW-UHFFFAOYSA-N
XLogP3.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid (CID 66831335) is 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)CCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
The InChIKey is XNCLPKHVNZQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-18(21-14-5-1-2-11-20(25)26)12-13-19(24)22-17-10-6-8-15-7-3-4-9-16(15)17/h3-4,6-10H,1-2,5,11-14H2,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid is sourced from PubChem (CID 66831335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).