2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide

C15H21ClN6O3 — CID 4726595

IUPAC2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
SMILESCCCCn1nnnc1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C15H21ClN6O3/c1-3-4-5-22-15(19-20-21-22)18-8-10-6-11(16)14(12(7-10)24-2)25-9-13(17)23/h6-7H,3-5,8-9H2,1-2H3,(H2,17,23)(H,18,19,21)
InChIKeyGFHQKFCXFGFERC-UHFFFAOYSA-N
MW368.83 g/mol
LogP1.61
Rot. Bonds10

About 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide

2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide (PubChem CID 4726595) has the molecular formula C15H21ClN6O3 and a molecular weight of 368.83 g/mol. Its IUPAC name is 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
PubChem CID4726595
Molecular FormulaC15H21ClN6O3
Molecular Weight368.83 g/mol
Exact Mass368.14
IUPAC Name2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
SMILESCCCCn1nnnc1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C15H21ClN6O3/c1-3-4-5-22-15(19-20-21-22)18-8-10-6-11(16)14(12(7-10)24-2)25-9-13(17)23/h6-7H,3-5,8-9H2,1-2H3,(H2,17,23)(H,18,19,21)
InChIKeyGFHQKFCXFGFERC-UHFFFAOYSA-N
XLogP1.61
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide with MolForge

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Related Compounds

2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 4727524
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-butyltetrazol-5-amine
CID 4725663
1-butyl-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazol-5-amine
CID 4725635
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 834045
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 4726459
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726583
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
CID 119122825
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726668

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide (CID 4726595) is 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide is CCCCn1nnnc1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide?
The InChIKey is GFHQKFCXFGFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O3/c1-3-4-5-22-15(19-20-21-22)18-8-10-6-11(16)14(12(7-10)24-2)25-9-13(17)23/h6-7H,3-5,8-9H2,1-2H3,(H2,17,23)(H,18,19,21).
What are the key properties of 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide?
2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide has a molecular weight of 368.83 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 4726595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).