2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide

C14H20ClN7O2 — CID 17057947

IUPAC2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1ccc(Cl)cc1CNn1nnnc1N
InChIInChI=1S/C14H20ClN7O2/c1-14(2,3)18-12(23)8-24-11-5-4-10(15)6-9(11)7-17-22-13(16)19-20-21-22/h4-6,17H,7-8H2,1-3H3,(H,18,23)(H2,16,19,21)
InChIKeyNNUCRYBAEMXDTI-UHFFFAOYSA-N
MW353.81 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide

2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide (PubChem CID 17057947) has the molecular formula C14H20ClN7O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide
PubChem CID17057947
Molecular FormulaC14H20ClN7O2
Molecular Weight353.81 g/mol
Exact Mass353.14
IUPAC Name2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1ccc(Cl)cc1CNn1nnnc1N
InChIInChI=1S/C14H20ClN7O2/c1-14(2,3)18-12(23)8-24-11-5-4-10(15)6-9(11)7-17-22-13(16)19-20-21-22/h4-6,17H,7-8H2,1-3H3,(H,18,23)(H2,16,19,21)
InChIKeyNNUCRYBAEMXDTI-UHFFFAOYSA-N
XLogP0.95
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4725991
1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride
CID 17054094
5-[[2-[2-(tert-butylamino)-2-oxoethoxy]-5-chlorophenyl]methylamino]-2-chlorobenzoic acid
CID 17058507
N-tert-butyl-2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide
CID 17054171
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
2-[4-chloro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 17053993
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
N-tert-butyl-2-[[4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19644635
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
CID 56819453

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide (CID 17057947) is 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide is CC(C)(C)NC(=O)COc1ccc(Cl)cc1CNn1nnnc1N.
What is the InChIKey of 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide?
The InChIKey is NNUCRYBAEMXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN7O2/c1-14(2,3)18-12(23)8-24-11-5-4-10(15)6-9(11)7-17-22-13(16)19-20-21-22/h4-6,17H,7-8H2,1-3H3,(H,18,23)(H2,16,19,21).
What are the key properties of 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide?
2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide has a molecular weight of 353.81 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 17057947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).