(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

C19H20N4O2 — CID 94635448

IUPAC(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccc(COc2ccccc2)c1)n1cncn1
InChIInChI=1S/C19H20N4O2/c1-15(23-14-20-13-22-23)19(24)21-11-16-6-5-7-17(10-16)12-25-18-8-3-2-4-9-18/h2-10,13-15H,11-12H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyDPOGERUFKJDULC-OAHLLOKOSA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds7

About (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94635448) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94635448
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccc(COc2ccccc2)c1)n1cncn1
InChIInChI=1S/C19H20N4O2/c1-15(23-14-20-13-22-23)19(24)21-11-16-6-5-7-17(10-16)12-25-18-8-3-2-4-9-18/h2-10,13-15H,11-12H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyDPOGERUFKJDULC-OAHLLOKOSA-N
XLogP2.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2-phenoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94810471
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea
CID 86826170
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 61400915
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
N-[2-(3-aminophenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 63237235
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
2-[3-[(2-pyrazol-1-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246406
2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877
(2S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 99972085
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 94635448) is (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@H](C(=O)NCc1cccc(COc2ccccc2)c1)n1cncn1.
What is the InChIKey of (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DPOGERUFKJDULC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15(23-14-20-13-22-23)19(24)21-11-16-6-5-7-17(10-16)12-25-18-8-3-2-4-9-18/h2-10,13-15H,11-12H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94635448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).