(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide

C16H24N2O5 — CID 25170715

IUPAC(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO)cc1
InChIInChI=1S/C16H24N2O5/c1-16(2,10-19)14(21)15(22)18-9-13(20)17-8-11-4-6-12(23-3)7-5-11/h4-7,14,19,21H,8-10H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyZPOVDKDJXBRYFP-AWEZNQCLSA-N
MW324.38 g/mol
LogP-0.19
Rot. Bonds8

About (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide

(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 25170715) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID25170715
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO)cc1
InChIInChI=1S/C16H24N2O5/c1-16(2,10-19)14(21)15(22)18-9-13(20)17-8-11-4-6-12(23-3)7-5-11/h4-7,14,19,21H,8-10H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyZPOVDKDJXBRYFP-AWEZNQCLSA-N
XLogP-0.19
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25171374
(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 142496432
2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
CID 119305831
2-methoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 60589002
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 25170715) is (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide is COc1ccc(CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO)cc1.
What is the InChIKey of (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is ZPOVDKDJXBRYFP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,10-19)14(21)15(22)18-9-13(20)17-8-11-4-6-12(23-3)7-5-11/h4-7,14,19,21H,8-10H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 324.38 g/mol, XLogP of -0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 25170715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).