(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride

C16H29Cl2N3O2 — CID 119844261

IUPAC(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(OCCN(C)C)cc1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-12(2)11-15(17)16(20)18-13-5-7-14(8-6-13)21-10-9-19(3)4;;/h5-8,12,15H,9-11,17H2,1-4H3,(H,18,20);2*1H/t15-;;/m0../s1
InChIKeyGZVGRVWYSOFXNX-CKUXDGONSA-N
MW366.33 g/mol
LogP2.78
Rot. Bonds8

About (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride

(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride (PubChem CID 119844261) has the molecular formula C16H29Cl2N3O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
PubChem CID119844261
Molecular FormulaC16H29Cl2N3O2
Molecular Weight366.33 g/mol
Exact Mass365.16
IUPAC Name(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(OCCN(C)C)cc1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-12(2)11-15(17)16(20)18-13-5-7-14(8-6-13)21-10-9-19(3)4;;/h5-8,12,15H,9-11,17H2,1-4H3,(H,18,20);2*1H/t15-;;/m0../s1
InChIKeyGZVGRVWYSOFXNX-CKUXDGONSA-N
XLogP2.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133167161
3-amino-4-[3-[2-(dimethylamino)ethoxy]anilino]-4-oxobutanoic acid
CID 64897056
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride (CID 119844261) is (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(OCCN(C)C)cc1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride?
The InChIKey is GZVGRVWYSOFXNX-CKUXDGONSA-N. The full InChI is InChI=1S/C16H27N3O2.2ClH/c1-12(2)11-15(17)16(20)18-13-5-7-14(8-6-13)21-10-9-19(3)4;;/h5-8,12,15H,9-11,17H2,1-4H3,(H,18,20);2*1H/t15-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride?
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride has a molecular weight of 366.33 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119844261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).