2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride

C16H29Cl2N3O — CID 119438218

IUPAC2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)C(C(C)C)N(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-6-17-11-13-8-7-9-14(10-13)18-16(20)15(12(2)3)19(4)5;;/h7-10,12,15,17H,6,11H2,1-5H3,(H,18,20);2*1H
InChIKeyOOBULCRLZBDLPU-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.16
Rot. Bonds7

About 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride

2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride (PubChem CID 119438218) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
PubChem CID119438218
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC Name2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)C(C(C)C)N(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-6-17-11-13-8-7-9-14(10-13)18-16(20)15(12(2)3)19(4)5;;/h7-10,12,15,17H,6,11H2,1-5H3,(H,18,20);2*1H
InChIKeyOOBULCRLZBDLPU-UHFFFAOYSA-N
XLogP3.16
TPSA44.37 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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224973
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[3-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119438388

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride (CID 119438218) is 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride is CCNCc1cccc(NC(=O)C(C(C)C)N(C)C)c1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride?
The InChIKey is OOBULCRLZBDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-6-17-11-13-8-7-9-14(10-13)18-16(20)15(12(2)3)19(4)5;;/h7-10,12,15,17H,6,11H2,1-5H3,(H,18,20);2*1H.
What are the key properties of 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride?
2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride is sourced from PubChem (CID 119438218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).