3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C24H32N2O6 — CID 97256102

IUPAC3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(COCCNC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1
InChIInChI=1S/C24H32N2O6/c1-16(2)22(26-23(27)18-12-20(30-4)14-21(13-18)31-5)24(28)25-10-11-32-15-17-6-8-19(29-3)9-7-17/h6-9,12-14,16,22H,10-11,15H2,1-5H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyAUAQDYFVDWNBNS-JOCHJYFZSA-N
MW444.53 g/mol
LogP2.80
Rot. Bonds12

About 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 97256102) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID97256102
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(COCCNC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1
InChIInChI=1S/C24H32N2O6/c1-16(2)22(26-23(27)18-12-20(30-4)14-21(13-18)31-5)24(28)25-10-11-32-15-17-6-8-19(29-3)9-7-17/h6-9,12-14,16,22H,10-11,15H2,1-5H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyAUAQDYFVDWNBNS-JOCHJYFZSA-N
XLogP2.80
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 16577363
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-prop-2-ynoxyethylamino)butan-2-yl]benzamide
CID 86788405
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 42704068
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
N-[1-[3-(4-chlorophenyl)propylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 60612832
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
3,5-dimethoxy-N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55350659
N-[1-[2-(4-chlorophenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 134014648
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 75440136
N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 46469682

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 97256102) is 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(COCCNC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is AUAQDYFVDWNBNS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-16(2)22(26-23(27)18-12-20(30-4)14-21(13-18)31-5)24(28)25-10-11-32-15-17-6-8-19(29-3)9-7-17/h6-9,12-14,16,22H,10-11,15H2,1-5H3,(H,25,28)(H,26,27)/t22-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 2.80, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 97256102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).