2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid

C20H24N2O4 — CID 175969260

IUPAC2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)CCC(=O)Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C20H24N2O4/c1-2-3-10-17(20(25)26)22-19(24)13-12-18(23)21-16-11-6-8-14-7-4-5-9-15(14)16/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyIVOAMONIGYKKFF-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.32
Rot. Bonds9

About 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid

2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid (PubChem CID 175969260) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
PubChem CID175969260
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)CCC(=O)Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C20H24N2O4/c1-2-3-10-17(20(25)26)22-19(24)13-12-18(23)21-16-11-6-8-14-7-4-5-9-15(14)16/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyIVOAMONIGYKKFF-UHFFFAOYSA-N
XLogP3.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

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CID 588517
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(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid
CID 70096044
(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
CID 40637276
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
The IUPAC name of 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid (CID 175969260) is 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid is CCCCC(NC(=O)CCC(=O)Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
The InChIKey is IVOAMONIGYKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-3-10-17(20(25)26)22-19(24)13-12-18(23)21-16-11-6-8-14-7-4-5-9-15(14)16/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid?
2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid is sourced from PubChem (CID 175969260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).