(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

C20H23N5O — CID 100686756

IUPAC(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESC[C@@H](NC[C@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H23N5O/c1-15(17-6-4-3-5-7-17)12-22-16(2)20(26)24-18-8-10-19(11-9-18)25-14-21-13-23-25/h3-11,13-16,22H,12H2,1-2H3,(H,24,26)/t15-,16+/m0/s1
InChIKeySTQGWJWPAJFOHU-JKSUJKDBSA-N
MW349.44 g/mol
LogP2.99
Rot. Bonds7

About (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 100686756) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID100686756
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESC[C@@H](NC[C@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H23N5O/c1-15(17-6-4-3-5-7-17)12-22-16(2)20(26)24-18-8-10-19(11-9-18)25-14-21-13-23-25/h3-11,13-16,22H,12H2,1-2H3,(H,24,26)/t15-,16+/m0/s1
InChIKeySTQGWJWPAJFOHU-JKSUJKDBSA-N
XLogP2.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 55608786
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
CID 55561337
(2R)-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 98876209
[(1S)-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 39954822
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349
2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55566637
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 100686756) is (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is C[C@@H](NC[C@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is STQGWJWPAJFOHU-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(17-6-4-3-5-7-17)12-22-16(2)20(26)24-18-8-10-19(11-9-18)25-14-21-13-23-25/h3-11,13-16,22H,12H2,1-2H3,(H,24,26)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 100686756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).