N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide

C18H27NO5 — CID 68521296

IUPACN-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)N[C@@H](COCc1ccccc1)C1OCCO1
InChIInChI=1S/C18H27NO5/c1-13(2)10-16(20)17(21)19-15(18-23-8-9-24-18)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-16,18,20H,8-12H2,1-2H3,(H,19,21)/t15-,16?/m0/s1
InChIKeyNPKZXXQAFDCUBS-VYRBHSGPSA-N
MW337.42 g/mol
LogP1.47
Rot. Bonds9

About N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide

N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide (PubChem CID 68521296) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide
PubChem CID68521296
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC NameN-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)N[C@@H](COCc1ccccc1)C1OCCO1
InChIInChI=1S/C18H27NO5/c1-13(2)10-16(20)17(21)19-15(18-23-8-9-24-18)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-16,18,20H,8-12H2,1-2H3,(H,19,21)/t15-,16?/m0/s1
InChIKeyNPKZXXQAFDCUBS-VYRBHSGPSA-N
XLogP1.47
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide
CID 134936429
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
CID 168776237
4-methyl-2-(phenylmethoxymethyl)pentanal
CID 141220346
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
CID 10660316
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
CID 170874039
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
tert-butyl N-[(1R)-3-methyl-1-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]butyl]carbamate
CID 138969655

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide?
The IUPAC name of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide (CID 68521296) is N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide is CC(C)CC(O)C(=O)N[C@@H](COCc1ccccc1)C1OCCO1.
What is the InChIKey of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide?
The InChIKey is NPKZXXQAFDCUBS-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H27NO5/c1-13(2)10-16(20)17(21)19-15(18-23-8-9-24-18)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-16,18,20H,8-12H2,1-2H3,(H,19,21)/t15-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide?
N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide has a molecular weight of 337.42 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 68521296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).