azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate

C22H28N4O4 — CID 160800096

IUPACazane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
SMILESCc1ccc2c(CC(=O)O)c[nH]c2c1.Cc1ccc2c(CC(N)=O)c[nH]c2c1.N.O
InChIInChI=1S/C11H12N2O.C11H11NO2.H3N.H2O/c1-7-2-3-9-8(5-11(12)14)6-13-10(9)4-7;1-7-2-3-9-8(5-11(13)14)6-12-10(9)4-7;;/h2-4,6,13H,5H2,1H3,(H2,12,14);2-4,6,12H,5H2,1H3,(H,13,14);1H3;1H2
InChIKeyNOAMYYVUIWSWGE-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.94
Rot. Bonds4

About azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate

azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate (PubChem CID 160800096) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate.

Molecular Properties

Compound Nameazane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
PubChem CID160800096
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Nameazane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
SMILESCc1ccc2c(CC(=O)O)c[nH]c2c1.Cc1ccc2c(CC(N)=O)c[nH]c2c1.N.O
InChIInChI=1S/C11H12N2O.C11H11NO2.H3N.H2O/c1-7-2-3-9-8(5-11(12)14)6-13-10(9)4-7;1-7-2-3-9-8(5-11(13)14)6-12-10(9)4-7;;/h2-4,6,13H,5H2,1H3,(H2,12,14);2-4,6,12H,5H2,1H3,(H,13,14);1H3;1H2
InChIKeyNOAMYYVUIWSWGE-UHFFFAOYSA-N
XLogP2.94
TPSA178.47 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate 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

methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
N-[(1-hydroxycyclobutyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111444945
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 136515838
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
2-[6-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetic acid
CID 122183544
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate
CID 143981469
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555

Frequently Asked Questions

What is the IUPAC name of azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate?
The IUPAC name of azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate (CID 160800096) is azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate.
What is the SMILES notation for azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate?
The canonical SMILES for azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate is Cc1ccc2c(CC(=O)O)c[nH]c2c1.Cc1ccc2c(CC(N)=O)c[nH]c2c1.N.O.
What is the InChIKey of azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate?
The InChIKey is NOAMYYVUIWSWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C11H11NO2.H3N.H2O/c1-7-2-3-9-8(5-11(12)14)6-13-10(9)4-7;1-7-2-3-9-8(5-11(13)14)6-12-10(9)4-7;;/h2-4,6,13H,5H2,1H3,(H2,12,14);2-4,6,12H,5H2,1H3,(H,13,14);1H3;1H2.
What are the key properties of azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate?
azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate has a molecular weight of 412.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate is sourced from PubChem (CID 160800096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).