2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide

C17H22N2O — CID 62368287

IUPAC2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-12(2)10-16(18)17(20)19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyPGIJKUXMIIDTBT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds5

About 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide

2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide (PubChem CID 62368287) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
PubChem CID62368287
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-12(2)10-16(18)17(20)19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyPGIJKUXMIIDTBT-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide
CID 72662220
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
(3S)-3-amino-4-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 118226744
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide (CID 62368287) is 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide is CC(C)CC(N)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
The InChIKey is PGIJKUXMIIDTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)10-16(18)17(20)19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide has a molecular weight of 270.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide is sourced from PubChem (CID 62368287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).