N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide

C17H23N3O — CID 154880689

IUPACN-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc2cnn(C)c2c1)CC(C)(C)C
InChIInChI=1S/C17H23N3O/c1-6-16(21)20(12-17(2,3)4)11-13-7-8-14-10-18-19(5)15(14)9-13/h6-10H,1,11-12H2,2-5H3
InChIKeyDYHZMBVZEOUALD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds4

About N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide

N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide (PubChem CID 154880689) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide
PubChem CID154880689
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc2cnn(C)c2c1)CC(C)(C)C
InChIInChI=1S/C17H23N3O/c1-6-16(21)20(12-17(2,3)4)11-13-7-8-14-10-18-19(5)15(14)9-13/h6-10H,1,11-12H2,2-5H3
InChIKeyDYHZMBVZEOUALD-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(1-methylindazol-6-yl)methanol
CID 168921165
5-(2,2-dimethylpropyl)-1-methylindazole
CID 59139804
2-(1-methylindazol-6-yl)acetonitrile
CID 84765976
2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide
CID 154861967
1-methylindazole-6-sulfonic acid
CID 22889763
1-methylindazole-6-sulfonyl fluoride
CID 156875828
N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
CID 54874632
N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
CID 166428635
1-methyl-5-[(4-methylpiperazin-1-yl)methyl]indazole
CID 145145756
N-[(5-tert-butylthiophen-2-yl)methyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 166423690
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide
CID 166424346
N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide
CID 154880665

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide (CID 154880689) is N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1ccc2cnn(C)c2c1)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide?
The InChIKey is DYHZMBVZEOUALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-16(21)20(12-17(2,3)4)11-13-7-8-14-10-18-19(5)15(14)9-13/h6-10H,1,11-12H2,2-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide?
N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide has a molecular weight of 285.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide is sourced from PubChem (CID 154880689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).