(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide

C18H23NO3 — CID 125469777

IUPAC(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide
SMILESCC(C)(CO)[C@H](O)C(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C18H23NO3/c1-18(2,12-20)16(21)17(22)19-11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16,20-21H,10-12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyMOXWCIVMTIZSIP-MRXNPFEDSA-N
MW301.39 g/mol
LogP1.88
Rot. Bonds6

About (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide

(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide (PubChem CID 125469777) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide
PubChem CID125469777
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide
SMILESCC(C)(CO)[C@H](O)C(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C18H23NO3/c1-18(2,12-20)16(21)17(22)19-11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16,20-21H,10-12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyMOXWCIVMTIZSIP-MRXNPFEDSA-N
XLogP1.88
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2,4-dihydroxy-3,3-dimethyl-N-(6-naphthalen-1-yl-3,4-dioxohexyl)butanamide
CID 148588467
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
CID 110892453
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
2-amino-2-methyl-N-(2-naphthalen-1-ylethyl)pentanamide;hydrochloride
CID 119722534
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide?
The IUPAC name of (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide (CID 125469777) is (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide.
What is the SMILES notation for (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide?
The canonical SMILES for (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide is CC(C)(CO)[C@H](O)C(=O)NCCc1cccc2ccccc12.
What is the InChIKey of (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide?
The InChIKey is MOXWCIVMTIZSIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(2,12-20)16(21)17(22)19-11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16,20-21H,10-12H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide?
(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide has a molecular weight of 301.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide is sourced from PubChem (CID 125469777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).