(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide

C25H25N3O2 — CID 92667288

IUPAC(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](C)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-3-30-23-16-10-7-13-20(23)17-26-25(29)18(2)28-22-15-9-8-14-21(22)24(27-28)19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyKTRCFHBWBGNNDC-SFHVURJKSA-N
MW399.49 g/mol
LogP4.98
Rot. Bonds7

About (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide

(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide (PubChem CID 92667288) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
PubChem CID92667288
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](C)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-3-30-23-16-10-7-13-20(23)17-26-25(29)18(2)28-22-15-9-8-14-21(22)24(27-28)19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyKTRCFHBWBGNNDC-SFHVURJKSA-N
XLogP4.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylindazol-1-yl)propanamide
CID 20877626
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 20877636
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
(2R)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92505469
N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
CID 22510284
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 112690620
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20877468
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide (CID 92667288) is (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide is CCOc1ccccc1CNC(=O)[C@H](C)n1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
The InChIKey is KTRCFHBWBGNNDC-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-30-23-16-10-7-13-20(23)17-26-25(29)18(2)28-22-15-9-8-14-21(22)24(27-28)19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3,(H,26,29)/t18-/m0/s1.
What are the key properties of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide has a molecular weight of 399.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide is sourced from PubChem (CID 92667288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).