N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide

C16H18N6O2 — CID 125434339

IUPACN-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
SMILESCOc1ccc(NC(=O)CCCn2cccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C16H18N6O2/c1-24-14-7-6-12(11-13(14)16-18-20-21-19-16)17-15(23)5-4-10-22-8-2-3-9-22/h2-3,6-9,11H,4-5,10H2,1H3,(H,17,23)(H,18,19,20,21)
InChIKeyZHDFDKILLXJODF-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.10
Rot. Bonds7

About N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide

N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide (PubChem CID 125434339) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
PubChem CID125434339
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
SMILESCOc1ccc(NC(=O)CCCn2cccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C16H18N6O2/c1-24-14-7-6-12(11-13(14)16-18-20-21-19-16)17-15(23)5-4-10-22-8-2-3-9-22/h2-3,6-9,11H,4-5,10H2,1H3,(H,17,23)(H,18,19,20,21)
InChIKeyZHDFDKILLXJODF-UHFFFAOYSA-N
XLogP2.10
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
CID 127254540
2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110204423
(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125431434
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 97183865
N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
CID 122140386
3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
CID 86865604
N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide
CID 167816233
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
1-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 170434313

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide (CID 125434339) is N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide is COc1ccc(NC(=O)CCCn2cccc2)cc1-c1nn[nH]n1.
What is the InChIKey of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide?
The InChIKey is ZHDFDKILLXJODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-24-14-7-6-12(11-13(14)16-18-20-21-19-16)17-15(23)5-4-10-22-8-2-3-9-22/h2-3,6-9,11H,4-5,10H2,1H3,(H,17,23)(H,18,19,20,21).
What are the key properties of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide?
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide has a molecular weight of 326.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 125434339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).