N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide

C19H20N6O4 — CID 71791091

IUPACN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(-n3nnn(CC(N)=O)c3=O)cc2)cc1
InChIInChI=1S/C19H20N6O4/c1-12(2)29-16-9-3-13(4-10-16)18(27)21-14-5-7-15(8-6-14)25-19(28)24(22-23-25)11-17(20)26/h3-10,12H,11H2,1-2H3,(H2,20,26)(H,21,27)
InChIKeyVIKPOAYKIZORJN-UHFFFAOYSA-N
MW396.41 g/mol
LogP0.95
Rot. Bonds7

About N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide

N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide (PubChem CID 71791091) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
PubChem CID71791091
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(-n3nnn(CC(N)=O)c3=O)cc2)cc1
InChIInChI=1S/C19H20N6O4/c1-12(2)29-16-9-3-13(4-10-16)18(27)21-14-5-7-15(8-6-14)25-19(28)24(22-23-25)11-17(20)26/h3-10,12H,11H2,1-2H3,(H2,20,26)(H,21,27)
InChIKeyVIKPOAYKIZORJN-UHFFFAOYSA-N
XLogP0.95
TPSA134.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide
CID 71791093
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
CID 71791101
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
2-[4-[4-[(2-benzylsulfanylacetyl)amino]phenyl]-5-oxotetrazol-1-yl]acetamide
CID 71791099
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
CID 54780630
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide (CID 71791091) is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(-n3nnn(CC(N)=O)c3=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is VIKPOAYKIZORJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-12(2)29-16-9-3-13(4-10-16)18(27)21-14-5-7-15(8-6-14)25-19(28)24(22-23-25)11-17(20)26/h3-10,12H,11H2,1-2H3,(H2,20,26)(H,21,27).
What are the key properties of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide?
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 396.41 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 71791091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).