(2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide

C17H21N3O3 — CID 71462985

IUPAC(2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)NO
InChIInChI=1S/C17H21N3O3/c1-11(2)10-15(16(21)20-23)19-17(22)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,23H,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m0/s1
InChIKeyZBHMNPFLXLENRH-HNNXBMFYSA-N
MW315.37 g/mol
LogP2.88
Rot. Bonds5

About (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide

(2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide (PubChem CID 71462985) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide
PubChem CID71462985
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)NO
InChIInChI=1S/C17H21N3O3/c1-11(2)10-15(16(21)20-23)19-17(22)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,23H,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m0/s1
InChIKeyZBHMNPFLXLENRH-HNNXBMFYSA-N
XLogP2.88
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
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1-(1-Naphthyl)-3-propylurea
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3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-naphthalen-1-ylurea
CID 24768230
Glycyl-N-2-naphthalenyl-L-phenylalaninamide
CID 152423
Leucine-beta-naphthylamide
CID 102475
formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 25199554
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 2106714
1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-3-phenyl-urea
CID 10624769
1-(Naphthalen-2-yl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782795
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-(4-fluoro-3-methylphenyl)ureido)-N-hydroxyhexanamide
CID 52941619
APN Inhibitor 4cc
CID 60144811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide (CID 71462985) is (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide is CC(C)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?
The InChIKey is ZBHMNPFLXLENRH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)10-15(16(21)20-23)19-17(22)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,23H,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?
(2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide has a molecular weight of 315.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide is sourced from PubChem (CID 71462985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).