N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C21H24N2O4 — CID 9178627

IUPACN-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3c(C)ccc(C)c32)cc1OC
InChIInChI=1S/C21H24N2O4/c1-12-6-7-13(2)20-18(12)19(22-14(3)24)21(25)23(20)11-15-8-9-16(26-4)17(10-15)27-5/h6-10,19H,11H2,1-5H3,(H,22,24)/t19-/m0/s1
InChIKeyFBZMWRPXLZBRGQ-IBGZPJMESA-N
MW368.43 g/mol
LogP3.04
Rot. Bonds5

About N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178627) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178627
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3c(C)ccc(C)c32)cc1OC
InChIInChI=1S/C21H24N2O4/c1-12-6-7-13(2)20-18(12)19(22-14(3)24)21(25)23(20)11-15-8-9-16(26-4)17(10-15)27-5/h6-10,19H,11H2,1-5H3,(H,22,24)/t19-/m0/s1
InChIKeyFBZMWRPXLZBRGQ-IBGZPJMESA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178632
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178644
N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178639
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 6499655
N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
CID 8871922
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444645
N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179047
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178627) is N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is COc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3c(C)ccc(C)c32)cc1OC.
What is the InChIKey of N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is FBZMWRPXLZBRGQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12-6-7-13(2)20-18(12)19(22-14(3)24)21(25)23(20)11-15-8-9-16(26-4)17(10-15)27-5/h6-10,19H,11H2,1-5H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).