2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride

C17H29ClN2O — CID 119772630

IUPAC2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
SMILESCCCC(Cc1ccccc1)NC(=O)C(N)C(C)CC.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-9-15(12-14-10-7-6-8-11-14)19-17(20)16(18)13(3)5-2;/h6-8,10-11,13,15-16H,4-5,9,12,18H2,1-3H3,(H,19,20);1H
InChIKeyMKLCFIFNPCCAFX-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.31
Rot. Bonds8

About 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride

2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride (PubChem CID 119772630) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
PubChem CID119772630
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
SMILESCCCC(Cc1ccccc1)NC(=O)C(N)C(C)CC.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-9-15(12-14-10-7-6-8-11-14)19-17(20)16(18)13(3)5-2;/h6-8,10-11,13,15-16H,4-5,9,12,18H2,1-3H3,(H,19,20);1H
InChIKeyMKLCFIFNPCCAFX-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]acetic acid
CID 18296786
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 18297709
4-[(2-amino-3-methylpentanoyl)amino]-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid
CID 18221710
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18296809
2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]propanoylamino]propanoic acid
CID 18296599

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride (CID 119772630) is 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride is CCCC(Cc1ccccc1)NC(=O)C(N)C(C)CC.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride?
The InChIKey is MKLCFIFNPCCAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-4-9-15(12-14-10-7-6-8-11-14)19-17(20)16(18)13(3)5-2;/h6-8,10-11,13,15-16H,4-5,9,12,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride?
2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119772630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).