2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide

C17H22N2O2 — CID 86786954

IUPAC2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide
SMILESCC(C)[C@@H](CO)NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-12(2)16(11-20)18-10-17(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16,18,20H,10-11H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeySRYDKLJWZJUEQU-MRXNPFEDSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds6

About 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide (PubChem CID 86786954) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide
PubChem CID86786954
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide
SMILESCC(C)[C@@H](CO)NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-12(2)16(11-20)18-10-17(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16,18,20H,10-11H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeySRYDKLJWZJUEQU-MRXNPFEDSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide (CID 86786954) is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide is CC(C)[C@@H](CO)NCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide?
The InChIKey is SRYDKLJWZJUEQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)16(11-20)18-10-17(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16,18,20H,10-11H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide?
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 86786954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).