2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide

C23H30N6O2 — CID 59118307

IUPAC2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C1=NNNN1C/C=C/c1ccccc1
InChIInChI=1S/C23H30N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-27-28-29(21)15-9-14-18-10-5-3-6-11-18/h3-14,20,27-28H,15-17,24H2,1-2H3,(H,25,30)/b14-9+/t20-/m1/s1
InChIKeyOIWATNXQAUVNDR-CBHXRGPZSA-N
MW422.53 g/mol
LogP1.78
Rot. Bonds10

About 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide

2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide (PubChem CID 59118307) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide
PubChem CID59118307
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C1=NNNN1C/C=C/c1ccccc1
InChIInChI=1S/C23H30N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-27-28-29(21)15-9-14-18-10-5-3-6-11-18/h3-14,20,27-28H,15-17,24H2,1-2H3,(H,25,30)/b14-9+/t20-/m1/s1
InChIKeyOIWATNXQAUVNDR-CBHXRGPZSA-N
XLogP1.78
TPSA104.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-methyl-N-[(1S)-1-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]-2,3-dihydrotetrazol-5-yl]-2-phenylmethoxyethyl]propanamide
CID 59118304
2-amino-N-[(1S)-1-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;methane
CID 159288015
2-amino-2-methyl-N-(1-oxo-3-phenylmethoxypropan-2-yl)propanamide
CID 56998841
2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 10044493
2-amino-N-[(1S)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 10068827
ethyl 3-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-1-yl]propanoate;methane
CID 158830993
2-amino-2-methyl-N-[(1S)-1-(6-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 70800627
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;methane
CID 159226946
3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 89441556
2-amino-2-methyl-N-[(1S)-1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 58783725
2-amino-N-[(1S)-1-(8-benzyl-7-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;methane
CID 162046351
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[5-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
CID 58783721

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide (CID 59118307) is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C1=NNNN1C/C=C/c1ccccc1.
What is the InChIKey of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide?
The InChIKey is OIWATNXQAUVNDR-CBHXRGPZSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-27-28-29(21)15-9-14-18-10-5-3-6-11-18/h3-14,20,27-28H,15-17,24H2,1-2H3,(H,25,30)/b14-9+/t20-/m1/s1.
What are the key properties of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide?
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 1.78, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide is sourced from PubChem (CID 59118307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).