2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride

C16H26ClN3O2 — CID 119750998

IUPAC2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-10-16(3,17)15(21)19-12(2)14(20)18-11-13-8-6-5-7-9-13;/h5-9,12H,4,10-11,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyDRVGTYZMKHZWNO-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.75
Rot. Bonds7

About 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride

2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride (PubChem CID 119750998) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
PubChem CID119750998
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-10-16(3,17)15(21)19-12(2)14(20)18-11-13-8-6-5-7-9-13;/h5-9,12H,4,10-11,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyDRVGTYZMKHZWNO-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119718098
N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride (CID 119750998) is 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)C(=O)NCc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride?
The InChIKey is DRVGTYZMKHZWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-4-10-16(3,17)15(21)19-12(2)14(20)18-11-13-8-6-5-7-9-13;/h5-9,12H,4,10-11,17H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride?
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119750998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).