2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide

C15H21N5O2 — CID 91649078

IUPAC2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide
SMILESCOc1cccc(C(C)C(=O)N(C)CC(C)c2nn[nH]n2)c1
InChIInChI=1S/C15H21N5O2/c1-10(14-16-18-19-17-14)9-20(3)15(21)11(2)12-6-5-7-13(8-12)22-4/h5-8,10-11H,9H2,1-4H3,(H,16,17,18,19)
InChIKeyJPCGHBRRDQKOMW-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.57
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide

2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide (PubChem CID 91649078) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide
PubChem CID91649078
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide
SMILESCOc1cccc(C(C)C(=O)N(C)CC(C)c2nn[nH]n2)c1
InChIInChI=1S/C15H21N5O2/c1-10(14-16-18-19-17-14)9-20(3)15(21)11(2)12-6-5-7-13(8-12)22-4/h5-8,10-11H,9H2,1-4H3,(H,16,17,18,19)
InChIKeyJPCGHBRRDQKOMW-UHFFFAOYSA-N
XLogP1.57
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 129437157
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99605001
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
CID 126781844
2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
CID 99605218
2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99606591
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 71423704
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
CID 138015024

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide (CID 91649078) is 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide is COc1cccc(C(C)C(=O)N(C)CC(C)c2nn[nH]n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide?
The InChIKey is JPCGHBRRDQKOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(14-16-18-19-17-14)9-20(3)15(21)11(2)12-6-5-7-13(8-12)22-4/h5-8,10-11H,9H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide?
2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide has a molecular weight of 303.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide is sourced from PubChem (CID 91649078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).