N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C25H32N2O4 — CID 9178632

IUPACN-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOc1cc(CN2C(=O)[C@H](NC(C)=O)c3c(C)ccc(C)c32)ccc1OCCC(C)C
InChIInChI=1S/C25H32N2O4/c1-15(2)11-12-31-20-10-9-19(13-21(20)30-6)14-27-24-17(4)8-7-16(3)22(24)23(25(27)29)26-18(5)28/h7-10,13,15,23H,11-12,14H2,1-6H3,(H,26,28)/t23-/m1/s1
InChIKeyABQCRRHJULQTQA-HSZRJFAPSA-N
MW424.54 g/mol
LogP4.46
Rot. Bonds8

About N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178632) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178632
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOc1cc(CN2C(=O)[C@H](NC(C)=O)c3c(C)ccc(C)c32)ccc1OCCC(C)C
InChIInChI=1S/C25H32N2O4/c1-15(2)11-12-31-20-10-9-19(13-21(20)30-6)14-27-24-17(4)8-7-16(3)22(24)23(25(27)29)26-18(5)28/h7-10,13,15,23H,11-12,14H2,1-6H3,(H,26,28)/t23-/m1/s1
InChIKeyABQCRRHJULQTQA-HSZRJFAPSA-N
XLogP4.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide with MolForge

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Related Compounds

N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178627
1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-5,7-dimethylindole-2,3-dione
CID 22696472
N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178639
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
4',7'-dichloro-1'-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889732
1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 3901427
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
[3-methoxy-4-(3-methylbutoxy)phenyl]methanethiol
CID 123919756
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178632) is N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is COc1cc(CN2C(=O)[C@H](NC(C)=O)c3c(C)ccc(C)c32)ccc1OCCC(C)C.
What is the InChIKey of N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is ABQCRRHJULQTQA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-15(2)11-12-31-20-10-9-19(13-21(20)30-6)14-27-24-17(4)8-7-16(3)22(24)23(25(27)29)26-18(5)28/h7-10,13,15,23H,11-12,14H2,1-6H3,(H,26,28)/t23-/m1/s1.
What are the key properties of N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 424.54 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).