N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide

C18H22N6O2 — CID 127254540

IUPACN-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
SMILESCOc1ccc(NC(=O)CCCCCn2cccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C18H22N6O2/c1-26-16-9-8-14(13-15(16)18-20-22-23-21-18)19-17(25)7-3-2-4-10-24-11-5-6-12-24/h5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,19,25)(H,20,21,22,23)
InChIKeyOTADRRMFEIZATP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds9

About N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide

N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide (PubChem CID 127254540) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
PubChem CID127254540
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
SMILESCOc1ccc(NC(=O)CCCCCn2cccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C18H22N6O2/c1-26-16-9-8-14(13-15(16)18-20-22-23-21-18)19-17(25)7-3-2-4-10-24-11-5-6-12-24/h5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,19,25)(H,20,21,22,23)
InChIKeyOTADRRMFEIZATP-UHFFFAOYSA-N
XLogP2.88
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
CID 125434339
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
N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
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'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
CID 86865604

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide?
The IUPAC name of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide (CID 127254540) is N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide.
What is the SMILES notation for N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide?
The canonical SMILES for N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide is COc1ccc(NC(=O)CCCCCn2cccc2)cc1-c1nn[nH]n1.
What is the InChIKey of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide?
The InChIKey is OTADRRMFEIZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-26-16-9-8-14(13-15(16)18-20-22-23-21-18)19-17(25)7-3-2-4-10-24-11-5-6-12-24/h5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,19,25)(H,20,21,22,23).
What are the key properties of N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide?
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 9 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]-6-pyrrol-1-ylhexanamide is sourced from PubChem (CID 127254540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).