(2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide

C25H34N4O5 — CID 90294683

IUPAC(2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide
SMILESCOc1cccc(CC(=O)N/C(N)=N/[C@H](CC(C)C)C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H34N4O5/c1-16(2)11-20(24(31)27-15-18-9-10-21(33-4)22(13-18)34-5)28-25(26)29-23(30)14-17-7-6-8-19(12-17)32-3/h6-10,12-13,16,20H,11,14-15H2,1-5H3,(H,27,31)(H3,26,28,29,30)/t20-/m1/s1
InChIKeyDEPKBGUCYAOZRB-HXUWFJFHSA-N
MW470.57 g/mol
LogP2.42
Rot. Bonds11

About (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide

(2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide (PubChem CID 90294683) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide
PubChem CID90294683
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name(2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide
SMILESCOc1cccc(CC(=O)N/C(N)=N/[C@H](CC(C)C)C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H34N4O5/c1-16(2)11-20(24(31)27-15-18-9-10-21(33-4)22(13-18)34-5)28-25(26)29-23(30)14-17-7-6-8-19(12-17)32-3/h6-10,12-13,16,20H,11,14-15H2,1-5H3,(H,27,31)(H3,26,28,29,30)/t20-/m1/s1
InChIKeyDEPKBGUCYAOZRB-HXUWFJFHSA-N
XLogP2.42
TPSA124.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide (CID 90294683) is (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide is COc1cccc(CC(=O)N/C(N)=N/[C@H](CC(C)C)C(=O)NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide?
The InChIKey is DEPKBGUCYAOZRB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-16(2)11-20(24(31)27-15-18-9-10-21(33-4)22(13-18)34-5)28-25(26)29-23(30)14-17-7-6-8-19(12-17)32-3/h6-10,12-13,16,20H,11,14-15H2,1-5H3,(H,27,31)(H3,26,28,29,30)/t20-/m1/s1.
What are the key properties of (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide?
(2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide has a molecular weight of 470.57 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[amino-[[2-(3-methoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 90294683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).