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

C16H24N2O5 — CID 25171374

IUPAC(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOc1cccc(CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO)c1
InChIInChI=1S/C16H24N2O5/c1-16(2,10-19)14(21)15(22)18-9-13(20)17-8-11-5-4-6-12(7-11)23-3/h4-7,14,19,21H,8-10H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyDLNSYQOYXUQVAZ-AWEZNQCLSA-N
MW324.38 g/mol
LogP-0.19
Rot. Bonds8

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

(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 25171374) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID25171374
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOc1cccc(CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO)c1
InChIInChI=1S/C16H24N2O5/c1-16(2,10-19)14(21)15(22)18-9-13(20)17-8-11-5-4-6-12(7-11)23-3/h4-7,14,19,21H,8-10H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyDLNSYQOYXUQVAZ-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

N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 66746123
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
N-benzyl-2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111250667
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 25171374) is (2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide is COc1cccc(CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO)c1.
What is the InChIKey of (2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is DLNSYQOYXUQVAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,10-19)14(21)15(22)18-9-13(20)17-8-11-5-4-6-12(7-11)23-3/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-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
(2R)-2,4-dihydroxy-N-[2-[(3-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-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 25171374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).