N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C16H29Cl2N3O — CID 119862556

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCN(C)Cc1cccc(CNC(=O)C(C)CNC)c1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-19(4)12-15-8-6-7-14(9-15)11-18-16(20)13(2)10-17-3;;/h6-9,13,17H,5,10-12H2,1-4H3,(H,18,20);2*1H
InChIKeyPHZRVTJRHGOCAT-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.45
Rot. Bonds8

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119862556) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119862556
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCN(C)Cc1cccc(CNC(=O)C(C)CNC)c1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-19(4)12-15-8-6-7-14(9-15)11-18-16(20)13(2)10-17-3;;/h6-9,13,17H,5,10-12H2,1-4H3,(H,18,20);2*1H
InChIKeyPHZRVTJRHGOCAT-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723323
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
N,N-dimethyl-4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide;hydrochloride
CID 119701723
(2S)-2-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide;dihydrochloride
CID 119842529
N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119862556) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CCN(C)Cc1cccc(CNC(=O)C(C)CNC)c1.Cl.Cl.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is PHZRVTJRHGOCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-5-19(4)12-15-8-6-7-14(9-15)11-18-16(20)13(2)10-17-3;;/h6-9,13,17H,5,10-12H2,1-4H3,(H,18,20);2*1H.
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119862556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).