(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide

C19H22N2O5 — CID 142645741

IUPAC(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
SMILESCOc1ccc(-c2ccc(C[C@H](CC(=O)NO)C(N)=O)cc2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-25-15-7-8-16(17(11-15)26-2)13-5-3-12(4-6-13)9-14(19(20)23)10-18(22)21-24/h3-8,11,14,24H,9-10H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m1/s1
InChIKeyASWHBPVQVGEMCL-CQSZACIVSA-N
MW358.39 g/mol
LogP1.91
Rot. Bonds8

About (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide

(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide (PubChem CID 142645741) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
PubChem CID142645741
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
SMILESCOc1ccc(-c2ccc(C[C@H](CC(=O)NO)C(N)=O)cc2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-25-15-7-8-16(17(11-15)26-2)13-5-3-12(4-6-13)9-14(19(20)23)10-18(22)21-24/h3-8,11,14,24H,9-10H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m1/s1
InChIKeyASWHBPVQVGEMCL-CQSZACIVSA-N
XLogP1.91
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide
CID 57177409
(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide
CID 142645744
2-[(4-methoxyphenyl)methyl]butanediamide
CID 70065989
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
2-[(4-methoxyphenyl)methyl]hexanediamide
CID 146373725
2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide
CID 167934307
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
2-[(4-tert-butylbenzoyl)amino]-3-[4-[5-[4-(2,4-dimethoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 78129565

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide?
The IUPAC name of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide (CID 142645741) is (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide.
What is the SMILES notation for (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide?
The canonical SMILES for (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide is COc1ccc(-c2ccc(C[C@H](CC(=O)NO)C(N)=O)cc2)c(OC)c1.
What is the InChIKey of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide?
The InChIKey is ASWHBPVQVGEMCL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-25-15-7-8-16(17(11-15)26-2)13-5-3-12(4-6-13)9-14(19(20)23)10-18(22)21-24/h3-8,11,14,24H,9-10H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide?
(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide has a molecular weight of 358.39 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide is sourced from PubChem (CID 142645741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).