4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide

C23H30N4O3 — CID 86891042

IUPAC4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide
SMILESCC(C)CC(NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C23H30N4O3/c1-15(2)13-19(23(30)26-21-11-12-24-27-21)25-22(29)10-9-20(28)18-8-7-16-5-3-4-6-17(16)14-18/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3,(H,25,29)(H2,24,26,27,30)
InChIKeyMKMZNZXUPANODJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.42
Rot. Bonds9

About 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide

4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide (PubChem CID 86891042) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide
PubChem CID86891042
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide
SMILESCC(C)CC(NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C23H30N4O3/c1-15(2)13-19(23(30)26-21-11-12-24-27-21)25-22(29)10-9-20(28)18-8-7-16-5-3-4-6-17(16)14-18/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3,(H,25,29)(H2,24,26,27,30)
InChIKeyMKMZNZXUPANODJ-UHFFFAOYSA-N
XLogP3.42
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide?
The IUPAC name of 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide (CID 86891042) is 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide.
What is the SMILES notation for 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide?
The canonical SMILES for 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide is CC(C)CC(NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccn[nH]1.
What is the InChIKey of 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide?
The InChIKey is MKMZNZXUPANODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-15(2)13-19(23(30)26-21-11-12-24-27-21)25-22(29)10-9-20(28)18-8-7-16-5-3-4-6-17(16)14-18/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3,(H,25,29)(H2,24,26,27,30).
What are the key properties of 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide?
4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide has a molecular weight of 410.52 g/mol, XLogP of 3.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide is sourced from PubChem (CID 86891042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).