3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride

C16H29Cl2N3O — CID 120503065

IUPAC3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCCN(CCNC(=O)C(C)C(C)N)c1ccccc1C.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-19(15-9-7-6-8-12(15)2)11-10-18-16(20)13(3)14(4)17;;/h6-9,13-14H,5,10-11,17H2,1-4H3,(H,18,20);2*1H
InChIKeyBHDBDMBMJVKMHZ-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.76
Rot. Bonds7

About 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503065) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
PubChem CID120503065
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC Name3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCCN(CCNC(=O)C(C)C(C)N)c1ccccc1C.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-19(15-9-7-6-8-12(15)2)11-10-18-16(20)13(3)14(4)17;;/h6-9,13-14H,5,10-11,17H2,1-4H3,(H,18,20);2*1H
InChIKeyBHDBDMBMJVKMHZ-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119853440
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CID 55717536
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CID 111438226
N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
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N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119853416
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939373
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 46478570

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride (CID 120503065) is 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride is CCN(CCNC(=O)C(C)C(C)N)c1ccccc1C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is BHDBDMBMJVKMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-5-19(15-9-7-6-8-12(15)2)11-10-18-16(20)13(3)14(4)17;;/h6-9,13-14H,5,10-11,17H2,1-4H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).