N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide

C19H18N6O — CID 42794009

IUPACN-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCn1c(CN(C(=O)Cn2cnnn2)c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H18N6O/c1-23-17(11-15-7-5-6-10-18(15)23)12-25(16-8-3-2-4-9-16)19(26)13-24-14-20-21-22-24/h2-11,14H,12-13H2,1H3
InChIKeyGRSGCTQPMQNMJX-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.40
Rot. Bonds5

About N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide

N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 42794009) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID42794009
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCn1c(CN(C(=O)Cn2cnnn2)c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H18N6O/c1-23-17(11-15-7-5-6-10-18(15)23)12-25(16-8-3-2-4-9-16)19(26)13-24-14-20-21-22-24/h2-11,14H,12-13H2,1H3
InChIKeyGRSGCTQPMQNMJX-UHFFFAOYSA-N
XLogP2.40
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918
acetic acid;2-ethyl-1-methylindole
CID 70581856
2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid
CID 60826492
N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71978533
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17430300
N-ethyl-2-(2-ethylindol-1-yl)-N-(3-ethylphenyl)acetamide
CID 174894433
1-methyl-2-propylindole
CID 13170349
ethyl (1-methylindol-2-yl) carbonate
CID 67809061
N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 146124066
2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
CID 119347669
4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
CID 142781838
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide (CID 42794009) is N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide is Cn1c(CN(C(=O)Cn2cnnn2)c2ccccc2)cc2ccccc21.
What is the InChIKey of N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is GRSGCTQPMQNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-23-17(11-15-7-5-6-10-18(15)23)12-25(16-8-3-2-4-9-16)19(26)13-24-14-20-21-22-24/h2-11,14H,12-13H2,1H3.
What are the key properties of N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide?
N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 42794009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).