(2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide

C30H48N2O4 — CID 157220941

IUPAC(2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide
SMILESCC(C)CC(=O)C[C@@H](CC(C)C)C(=O)Nc1ccc(NC(=O)[C@@H](CC(=O)CC(C)C)CC(C)C)cc1
InChIInChI=1S/C30H48N2O4/c1-19(2)13-23(17-27(33)15-21(5)6)29(35)31-25-9-11-26(12-10-25)32-30(36)24(14-20(3)4)18-28(34)16-22(7)8/h9-12,19-24H,13-18H2,1-8H3,(H,31,35)(H,32,36)/t23-,24-/m1/s1
InChIKeyVKJIXGYUBAJYIH-DNQXCXABSA-N
MW500.72 g/mol
LogP6.90
Rot. Bonds16

About (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide

(2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide (PubChem CID 157220941) has the molecular formula C30H48N2O4 and a molecular weight of 500.72 g/mol. Its IUPAC name is (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide.

Molecular Properties

Compound Name(2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide
PubChem CID157220941
Molecular FormulaC30H48N2O4
Molecular Weight500.72 g/mol
Exact Mass500.36
IUPAC Name(2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide
SMILESCC(C)CC(=O)C[C@@H](CC(C)C)C(=O)Nc1ccc(NC(=O)[C@@H](CC(=O)CC(C)C)CC(C)C)cc1
InChIInChI=1S/C30H48N2O4/c1-19(2)13-23(17-27(33)15-21(5)6)29(35)31-25-9-11-26(12-10-25)32-30(36)24(14-20(3)4)18-28(34)16-22(7)8/h9-12,19-24H,13-18H2,1-8H3,(H,31,35)(H,32,36)/t23-,24-/m1/s1
InChIKeyVKJIXGYUBAJYIH-DNQXCXABSA-N
XLogP6.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.72
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide 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

(2R)-4-methyl-2-(4-methyl-2-oxopentoxy)-N-phenylpentanamide
CID 157220940
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid
CID 162738984
3-[4-[[2-(aminomethyl)-4-methylpentanoyl]amino]phenyl]propanoic acid
CID 115340042
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-isocyano-4-methyl-N-phenylpentanamide
CID 71322028
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
CID 163140404
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947
2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 81266386

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide?
The IUPAC name of (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide (CID 157220941) is (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide.
What is the SMILES notation for (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide?
The canonical SMILES for (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide is CC(C)CC(=O)C[C@@H](CC(C)C)C(=O)Nc1ccc(NC(=O)[C@@H](CC(=O)CC(C)C)CC(C)C)cc1.
What is the InChIKey of (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide?
The InChIKey is VKJIXGYUBAJYIH-DNQXCXABSA-N. The full InChI is InChI=1S/C30H48N2O4/c1-19(2)13-23(17-27(33)15-21(5)6)29(35)31-25-9-11-26(12-10-25)32-30(36)24(14-20(3)4)18-28(34)16-22(7)8/h9-12,19-24H,13-18H2,1-8H3,(H,31,35)(H,32,36)/t23-,24-/m1/s1.
What are the key properties of (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide?
(2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide has a molecular weight of 500.72 g/mol, XLogP of 6.90, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide is sourced from PubChem (CID 157220941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).