2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride

C17H29ClN2O — CID 120651072

IUPAC2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(Cc1ccccc1)C(C)C.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-5-18-14(4)12-19-17(20)16(13(2)3)11-15-9-7-6-8-10-15;/h6-10,13-14,16,18H,5,11-12H2,1-4H3,(H,19,20);1H/t14-,16?;/m1./s1
InChIKeyYRUOLDYHUHRZSD-VHCCSVTPSA-N
MW312.89 g/mol
LogP3.04
Rot. Bonds8

About 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride

2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride (PubChem CID 120651072) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
PubChem CID120651072
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(Cc1ccccc1)C(C)C.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-5-18-14(4)12-19-17(20)16(13(2)3)11-15-9-7-6-8-10-15;/h6-10,13-14,16,18H,5,11-12H2,1-4H3,(H,19,20);1H/t14-,16?;/m1./s1
InChIKeyYRUOLDYHUHRZSD-VHCCSVTPSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
3-[[(2R)-2-benzyl-3-methylbutanoyl]amino]propanoic acid
CID 124682272
N-[(2R)-2-(ethylamino)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide;dihydrochloride
CID 120654368
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119430585
2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide
CID 142050065
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120654480
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110574
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride (CID 120651072) is 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride is CCN[C@H](C)CNC(=O)C(Cc1ccccc1)C(C)C.Cl.
What is the InChIKey of 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride?
The InChIKey is YRUOLDYHUHRZSD-VHCCSVTPSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-5-18-14(4)12-19-17(20)16(13(2)3)11-15-9-7-6-8-10-15;/h6-10,13-14,16,18H,5,11-12H2,1-4H3,(H,19,20);1H/t14-,16?;/m1./s1.
What are the key properties of 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride?
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 120651072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).