N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide

C32H28N2O4 — CID 91426389

IUPACN-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc2c1C=CC2
InChIInChI=1S/C32H28N2O4/c35-31(29-16-8-12-24-11-7-15-28(24)29)34-30(22-37-21-23-9-3-1-4-10-23)32(36)33-25-17-19-27(20-18-25)38-26-13-5-2-6-14-26/h1-10,12-20,30H,11,21-22H2,(H,33,36)(H,34,35)
InChIKeyAFYCFDRZGDXTSS-UHFFFAOYSA-N
MW504.59 g/mol
LogP6.00
Rot. Bonds10

About N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide

N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide (PubChem CID 91426389) has the molecular formula C32H28N2O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide
PubChem CID91426389
Molecular FormulaC32H28N2O4
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC NameN-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc2c1C=CC2
InChIInChI=1S/C32H28N2O4/c35-31(29-16-8-12-24-11-7-15-28(24)29)34-30(22-37-21-23-9-3-1-4-10-23)32(36)33-25-17-19-27(20-18-25)38-26-13-5-2-6-14-26/h1-10,12-20,30H,11,21-22H2,(H,33,36)(H,34,35)
InChIKeyAFYCFDRZGDXTSS-UHFFFAOYSA-N
XLogP6.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide
CID 67010505
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-2-pyrrol-1-ylbenzamide
CID 67009292
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide
CID 67009931
5-nitro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]furan-2-carboxamide
CID 89078446
2-[[2-(3-chlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009628
2-[[2-(1,3-dihydroisoindol-2-yl)acetyl]amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67009522
[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl] acetate
CID 70641269
(3S)-3-hydroxy-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-3-phenylpropanamide
CID 90323705
3-methyl-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]pentanamide
CID 70641288
[(Z)-azanidylmethylidene-[2-oxo-2-[[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl]azaniumyl]azanide
CID 143978875
2-[[2-(2-hydroxyphenoxy)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 70641256
2-[(2-chloroacetyl)amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010267

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide?
The IUPAC name of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide (CID 91426389) is N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide?
The canonical SMILES for N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide is O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc2c1C=CC2.
What is the InChIKey of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide?
The InChIKey is AFYCFDRZGDXTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4/c35-31(29-16-8-12-24-11-7-15-28(24)29)34-30(22-37-21-23-9-3-1-4-10-23)32(36)33-25-17-19-27(20-18-25)38-26-13-5-2-6-14-26/h1-10,12-20,30H,11,21-22H2,(H,33,36)(H,34,35).
What are the key properties of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide?
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide is sourced from PubChem (CID 91426389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).