(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide

C20H23N5O2 — CID 25469917

IUPAC(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESCC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H23N5O2/c1-4-14(2)16-8-10-17(11-9-16)22-20(26)15(3)27-19-7-5-6-18(12-19)25-13-21-23-24-25/h5-15H,4H2,1-3H3,(H,22,26)/t14-,15+/m1/s1
InChIKeyGNBANRAKKQAACI-CABCVRRESA-N
MW365.44 g/mol
LogP3.58
Rot. Bonds7

About (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide

(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 25469917) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID25469917
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESCC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H23N5O2/c1-4-14(2)16-8-10-17(11-9-16)22-20(26)15(3)27-19-7-5-6-18(12-19)25-13-21-23-24-25/h5-15H,4H2,1-3H3,(H,22,26)/t14-,15+/m1/s1
InChIKeyGNBANRAKKQAACI-CABCVRRESA-N
XLogP3.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 91204947
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705781
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 20894851
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 17011478
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 26820827
[(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 41194315

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide (CID 25469917) is (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide is CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is GNBANRAKKQAACI-CABCVRRESA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-14(2)16-8-10-17(11-9-16)22-20(26)15(3)27-19-7-5-6-18(12-19)25-13-21-23-24-25/h5-15H,4H2,1-3H3,(H,22,26)/t14-,15+/m1/s1.
What are the key properties of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 365.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 25469917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).