2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide

C13H22N4O2 — CID 54897263

IUPAC2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)12(19)14-6-4-5-11(18)15-7-10-8-16-17-9-10/h8-9H,4-7H2,1-3H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyHWSAELGIWCSDDJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.97
Rot. Bonds6

About 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide

2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide (PubChem CID 54897263) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
PubChem CID54897263
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)12(19)14-6-4-5-11(18)15-7-10-8-16-17-9-10/h8-9H,4-7H2,1-3H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyHWSAELGIWCSDDJ-UHFFFAOYSA-N
XLogP0.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.97
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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Related Compounds

2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 62677107
N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 51338440
N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547
2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
CID 32758147
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
N-(1H-pyrazol-4-ylmethyl)but-2-enamide
CID 76864423
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
3-pyrazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 61004651

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide (CID 54897263) is 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide is CC(C)(C)C(=O)NCCCC(=O)NCc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide?
The InChIKey is HWSAELGIWCSDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)12(19)14-6-4-5-11(18)15-7-10-8-16-17-9-10/h8-9H,4-7H2,1-3H3,(H,14,19)(H,15,18)(H,16,17).
What are the key properties of 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide?
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide is sourced from PubChem (CID 54897263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).