3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide

C19H18N6O2 — CID 45493492

IUPAC3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-n1cnnn1
InChIInChI=1S/C19H18N6O2/c1-27-18-8-7-14(10-17(18)25-12-21-23-24-25)22-19(26)9-6-13-11-20-16-5-3-2-4-15(13)16/h2-5,7-8,10-12,20H,6,9H2,1H3,(H,22,26)
InChIKeyYHIPLLBNIICVQR-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.72
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 45493492) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID45493492
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-n1cnnn1
InChIInChI=1S/C19H18N6O2/c1-27-18-8-7-14(10-17(18)25-12-21-23-24-25)22-19(26)9-6-13-11-20-16-5-3-2-4-15(13)16/h2-5,7-8,10-12,20H,6,9H2,1H3,(H,22,26)
InChIKeyYHIPLLBNIICVQR-UHFFFAOYSA-N
XLogP2.72
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-indol-3-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 858417
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide
CID 154861700
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
CID 7999030
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide (CID 45493492) is 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide is COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-n1cnnn1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is YHIPLLBNIICVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-27-18-8-7-14(10-17(18)25-12-21-23-24-25)22-19(26)9-6-13-11-20-16-5-3-2-4-15(13)16/h2-5,7-8,10-12,20H,6,9H2,1H3,(H,22,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 362.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 45493492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).