2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate

C19H32N4O4 — CID 11164895

IUPAC2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(11(2)3)12(4)5)16(24)18(25)21-15-10-13(6)22-23-15/h10-12,14,17H,7-9H2,1-6H3,(H,20,26)(H2,21,22,23,25)/t14-/m0/s1
InChIKeyVIFOYOOWJOFKQM-AWEZNQCLSA-N
MW380.49 g/mol
LogP3.19
Rot. Bonds10

About 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate

2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate (PubChem CID 11164895) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
PubChem CID11164895
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(11(2)3)12(4)5)16(24)18(25)21-15-10-13(6)22-23-15/h10-12,14,17H,7-9H2,1-6H3,(H,20,26)(H2,21,22,23,25)/t14-/m0/s1
InChIKeyVIFOYOOWJOFKQM-AWEZNQCLSA-N
XLogP3.19
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate (CID 11164895) is 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate is CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
The InChIKey is VIFOYOOWJOFKQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-7-8-9-14(20-19(26)27-17(11(2)3)12(4)5)16(24)18(25)21-15-10-13(6)22-23-15/h10-12,14,17H,7-9H2,1-6H3,(H,20,26)(H2,21,22,23,25)/t14-/m0/s1.
What are the key properties of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 3.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl N-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate is sourced from PubChem (CID 11164895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).