2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride

C16H26ClN3O2 — CID 119750986

IUPAC2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-11(2)14(17)16(21)19-12(3)15(20)18-10-13-8-6-5-7-9-13;/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyCWVUQZJMVNHWLY-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.60
Rot. Bonds7

About 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride

2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride (PubChem CID 119750986) 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]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
PubChem CID119750986
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-11(2)14(17)16(21)19-12(3)15(20)18-10-13-8-6-5-7-9-13;/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyCWVUQZJMVNHWLY-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]propanoylamino]propanoic acid
CID 18296599
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
CID 119772630
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride (CID 119750986) is 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NC(C)C(=O)NCc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride?
The InChIKey is CWVUQZJMVNHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-4-11(2)14(17)16(21)19-12(3)15(20)18-10-13-8-6-5-7-9-13;/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of 2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride?
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.60, 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]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119750986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).