2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate

C19H22N6O2 — CID 47077786

IUPAC2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(NCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H22N6O2/c1-14(2)13-27-19(26)21-16-8-6-7-15(11-16)20-12-18-22-23-24-25(18)17-9-4-3-5-10-17/h3-11,14,20H,12-13H2,1-2H3,(H,21,26)
InChIKeyXDPGTSFOEMSWCO-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.48
Rot. Bonds7

About 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate

2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate (PubChem CID 47077786) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate
PubChem CID47077786
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(NCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H22N6O2/c1-14(2)13-27-19(26)21-16-8-6-7-15(11-16)20-12-18-22-23-24-25(18)17-9-4-3-5-10-17/h3-11,14,20H,12-13H2,1-2H3,(H,21,26)
InChIKeyXDPGTSFOEMSWCO-UHFFFAOYSA-N
XLogP3.48
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide
CID 167858469
2-methylpropyl N-[3-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methylamino]phenyl]carbamate
CID 167853037
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 60586505
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 60535540
N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide
CID 42896099
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate (CID 47077786) is 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate is CC(C)COC(=O)Nc1cccc(NCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate?
The InChIKey is XDPGTSFOEMSWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14(2)13-27-19(26)21-16-8-6-7-15(11-16)20-12-18-22-23-24-25(18)17-9-4-3-5-10-17/h3-11,14,20H,12-13H2,1-2H3,(H,21,26).
What are the key properties of 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate?
2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate has a molecular weight of 366.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 47077786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).