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

C19H20N6O3 — CID 71791101

IUPACN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(-n2nnn(CC(N)=O)c2=O)cc1)c1ccccc1
InChIInChI=1S/C19H20N6O3/c1-2-16(13-6-4-3-5-7-13)18(27)21-14-8-10-15(11-9-14)25-19(28)24(22-23-25)12-17(20)26/h3-11,16H,2,12H2,1H3,(H2,20,26)(H,21,27)
InChIKeyJBKVHNRRBYPHGR-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.05
Rot. Bonds7

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

N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide (PubChem CID 71791101) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
PubChem CID71791101
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(-n2nnn(CC(N)=O)c2=O)cc1)c1ccccc1
InChIInChI=1S/C19H20N6O3/c1-2-16(13-6-4-3-5-7-13)18(27)21-14-8-10-15(11-9-14)25-19(28)24(22-23-25)12-17(20)26/h3-11,16H,2,12H2,1H3,(H2,20,26)(H,21,27)
InChIKeyJBKVHNRRBYPHGR-UHFFFAOYSA-N
XLogP1.05
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-[(2-benzylsulfanylacetyl)amino]phenyl]-5-oxotetrazol-1-yl]acetamide
CID 71791099
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 71791091
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 1026845
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide
CID 71791093
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide
CID 166228641
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide (CID 71791101) is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(-n2nnn(CC(N)=O)c2=O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide?
The InChIKey is JBKVHNRRBYPHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-2-16(13-6-4-3-5-7-13)18(27)21-14-8-10-15(11-9-14)25-19(28)24(22-23-25)12-17(20)26/h3-11,16H,2,12H2,1H3,(H2,20,26)(H,21,27).
What are the key properties of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide?
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide has a molecular weight of 380.41 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 71791101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).