2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride

C17H23ClN2O — CID 119709573

IUPAC2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cccc2ccccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-3-12(2)16(18)17(20)19-11-14-9-6-8-13-7-4-5-10-15(13)14;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,20);1H
InChIKeyMSIXJCLCFGPNIJ-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.25
Rot. Bonds5

About 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride

2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride (PubChem CID 119709573) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
PubChem CID119709573
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cccc2ccccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-3-12(2)16(18)17(20)19-11-14-9-6-8-13-7-4-5-10-15(13)14;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,20);1H
InChIKeyMSIXJCLCFGPNIJ-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
(2S)-2-amino-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanamide
CID 139397810
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride (CID 119709573) is 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1cccc2ccccc12.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride?
The InChIKey is MSIXJCLCFGPNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-3-12(2)16(18)17(20)19-11-14-9-6-8-13-7-4-5-10-15(13)14;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride?
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 3.25, 5 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-(naphthalen-1-ylmethyl)pentanamide;hydrochloride is sourced from PubChem (CID 119709573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).