(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide

C18H19N5O2 — CID 7705756

IUPAC(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N5O2/c1-14(18(24)22(2)12-15-7-4-3-5-8-15)25-17-10-6-9-16(11-17)23-13-19-20-21-23/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1
InChIKeyVCTCZMBOXMKYRN-CQSZACIVSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds6

About (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide

(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 7705756) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID7705756
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N5O2/c1-14(18(24)22(2)12-15-7-4-3-5-8-15)25-17-10-6-9-16(11-17)23-13-19-20-21-23/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1
InChIKeyVCTCZMBOXMKYRN-CQSZACIVSA-N
XLogP2.09
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769206
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
CID 7786732
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)-1-oxo-1-phenylpropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 30825028

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide (CID 7705756) is (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide is C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is VCTCZMBOXMKYRN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-14(18(24)22(2)12-15-7-4-3-5-8-15)25-17-10-6-9-16(11-17)23-13-19-20-21-23/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 7705756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).