ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole

C22H43N3O — CID 142406955

IUPACethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole
SMILESCC.CC.CC.CCN(CC(C)C)C(C)=O.Cc1[nH]nc2ccccc12
InChIInChI=1S/C8H8N2.C8H17NO.3C2H6/c1-6-7-4-2-3-5-8(7)10-9-6;1-5-9(8(4)10)6-7(2)3;3*1-2/h2-5H,1H3,(H,9,10);7H,5-6H2,1-4H3;3*1-2H3
InChIKeyIUTVRQAWJXKTCM-UHFFFAOYSA-N
MW365.61 g/mol
LogP6.46
Rot. Bonds3

About ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole

ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole (PubChem CID 142406955) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole.

Molecular Properties

Compound Nameethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole
PubChem CID142406955
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Nameethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole
SMILESCC.CC.CC.CCN(CC(C)C)C(C)=O.Cc1[nH]nc2ccccc12
InChIInChI=1S/C8H8N2.C8H17NO.3C2H6/c1-6-7-4-2-3-5-8(7)10-9-6;1-5-9(8(4)10)6-7(2)3;3*1-2/h2-5H,1H3,(H,9,10);7H,5-6H2,1-4H3;3*1-2H3
InChIKeyIUTVRQAWJXKTCM-UHFFFAOYSA-N
XLogP6.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-hydrazinyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 62242827
3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid
CID 119191644
N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide
CID 167908250
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
ethane;3-methyl-2H-indazol-6-ol
CID 144952867
2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
CID 4119732
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide
CID 111596489
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide
CID 76600085
ethane;3-propan-2-yl-2H-indazole
CID 167622577

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole?
The IUPAC name of ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole (CID 142406955) is ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole.
What is the SMILES notation for ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole?
The canonical SMILES for ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole is CC.CC.CC.CCN(CC(C)C)C(C)=O.Cc1[nH]nc2ccccc12.
What is the InChIKey of ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole?
The InChIKey is IUTVRQAWJXKTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C8H17NO.3C2H6/c1-6-7-4-2-3-5-8(7)10-9-6;1-5-9(8(4)10)6-7(2)3;3*1-2/h2-5H,1H3,(H,9,10);7H,5-6H2,1-4H3;3*1-2H3.
What are the key properties of ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole?
ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole has a molecular weight of 365.61 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-(2-methylpropyl)acetamide;3-methyl-2H-indazole is sourced from PubChem (CID 142406955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).