N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide

C26H26N2O4 — CID 67009931

IUPACN-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C26H26N2O4/c29-25(20-11-12-20)28-24(18-31-17-19-7-3-1-4-8-19)26(30)27-21-13-15-23(16-14-21)32-22-9-5-2-6-10-22/h1-10,13-16,20,24H,11-12,17-18H2,(H,27,30)(H,28,29)
InChIKeyMCKYDERIYVXFCQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.53
Rot. Bonds10

About N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide

N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide (PubChem CID 67009931) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide
PubChem CID67009931
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C26H26N2O4/c29-25(20-11-12-20)28-24(18-31-17-19-7-3-1-4-8-19)26(30)27-21-13-15-23(16-14-21)32-22-9-5-2-6-10-22/h1-10,13-16,20,24H,11-12,17-18H2,(H,27,30)(H,28,29)
InChIKeyMCKYDERIYVXFCQ-UHFFFAOYSA-N
XLogP4.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.53
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
[(Z)-azanidylmethylidene-[2-oxo-2-[[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl]azaniumyl]azanide
CID 143978875
[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl] acetate
CID 70641269
2-[[2-(3-chlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009628
(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
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
N-methyl-N-[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl]benzamide
CID 45377161
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]-1H-indene-4-carboxamide
CID 91426389
4-cyclobutyl-4-oxo-N-(4-phenoxyphenyl)-2-(phenylmethoxymethyl)butanamide;molecular hydrogen
CID 143979076

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide (CID 67009931) is N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide is O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1.
What is the InChIKey of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide?
The InChIKey is MCKYDERIYVXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c29-25(20-11-12-20)28-24(18-31-17-19-7-3-1-4-8-19)26(30)27-21-13-15-23(16-14-21)32-22-9-5-2-6-10-22/h1-10,13-16,20,24H,11-12,17-18H2,(H,27,30)(H,28,29).
What are the key properties of N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide?
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide has a molecular weight of 430.50 g/mol, XLogP of 4.53, 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]cyclopropanecarboxamide is sourced from PubChem (CID 67009931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).