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

C17H22N2O — CID 62368637

IUPAC2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/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)
InChIKeyQAIPCHGPTYTLSG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds5

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

2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide (PubChem CID 62368637) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
PubChem CID62368637
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/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)
InChIKeyQAIPCHGPTYTLSG-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

2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
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-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
(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-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]benzoic acid
CID 61161892
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide
CID 59965556

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide (CID 62368637) is 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide is CCC(C)C(N)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
The InChIKey is QAIPCHGPTYTLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/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).
What are the key properties of 2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide?
2-amino-3-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-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide is sourced from PubChem (CID 62368637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).