N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide

C18H23N3O3 — CID 72662220

IUPACN-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide
SMILESCC(C)CC(NC(=O)NCc1cccc2ccccc12)C(=O)NO
InChIInChI=1S/C18H23N3O3/c1-12(2)10-16(17(22)21-24)20-18(23)19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16,24H,10-11H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyRFGJRKGWQKGXJW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.56
Rot. Bonds6

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

N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide (PubChem CID 72662220) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide.

Molecular Properties

Compound NameN-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide
PubChem CID72662220
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide
SMILESCC(C)CC(NC(=O)NCc1cccc2ccccc12)C(=O)NO
InChIInChI=1S/C18H23N3O3/c1-12(2)10-16(17(22)21-24)20-18(23)19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16,24H,10-11H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyRFGJRKGWQKGXJW-UHFFFAOYSA-N
XLogP2.56
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.56
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

1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 110910304
(2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71461261
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
3-(1H-indol-3-yl)-2-(naphthalen-1-ylmethylcarbamoylamino)propanoic acid
CID 45331741
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
CID 94178980
methyl 2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylpentanoate
CID 3840531
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 122547209

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide?
The IUPAC name of N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide (CID 72662220) is N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide.
What is the SMILES notation for N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide?
The canonical SMILES for N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide is CC(C)CC(NC(=O)NCc1cccc2ccccc12)C(=O)NO.
What is the InChIKey of N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide?
The InChIKey is RFGJRKGWQKGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)10-16(17(22)21-24)20-18(23)19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16,24H,10-11H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide?
N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide has a molecular weight of 329.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide is sourced from PubChem (CID 72662220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).