2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide

C27H29N5O4 — CID 3170398

IUPAC2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1
InChIInChI=1S/C27H29N5O4/c1-3-15-35-23-12-9-20(10-13-23)17-28-26(33)18-32-30-27(29-31-32)22-11-14-24(25(16-22)34-2)36-19-21-7-5-4-6-8-21/h4-14,16H,3,15,17-19H2,1-2H3,(H,28,33)
InChIKeySNODFMPDUPVKRX-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.03
Rot. Bonds12

About 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide

2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 3170398) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID3170398
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1
InChIInChI=1S/C27H29N5O4/c1-3-15-35-23-12-9-20(10-13-23)17-28-26(33)18-32-30-27(29-31-32)22-11-14-24(25(16-22)34-2)36-19-21-7-5-4-6-8-21/h4-14,16H,3,15,17-19H2,1-2H3,(H,28,33)
InChIKeySNODFMPDUPVKRX-UHFFFAOYSA-N
XLogP4.03
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9082707
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1169409
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]acetamide
CID 1169410
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate
CID 7123307
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide (CID 3170398) is 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1.
What is the InChIKey of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is SNODFMPDUPVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-3-15-35-23-12-9-20(10-13-23)17-28-26(33)18-32-30-27(29-31-32)22-11-14-24(25(16-22)34-2)36-19-21-7-5-4-6-8-21/h4-14,16H,3,15,17-19H2,1-2H3,(H,28,33).
What are the key properties of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 4.03, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3170398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).