4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide

C24H21N3O4 — CID 9244689

IUPAC4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H21N3O4/c1-16(31-20-13-7-17(15-25)8-14-20)23(28)26-19-11-9-18(10-12-19)24(29)27-21-5-3-4-6-22(21)30-2/h3-14,16H,1-2H3,(H,26,28)(H,27,29)/t16-/m0/s1
InChIKeyMVUOQNWOKFTBIH-INIZCTEOSA-N
MW415.45 g/mol
LogP4.23
Rot. Bonds7

About 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 9244689) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID9244689
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H21N3O4/c1-16(31-20-13-7-17(15-25)8-14-20)23(28)26-19-11-9-18(10-12-19)24(29)27-21-5-3-4-6-22(21)30-2/h3-14,16H,1-2H3,(H,26,28)(H,27,29)/t16-/m0/s1
InChIKeyMVUOQNWOKFTBIH-INIZCTEOSA-N
XLogP4.23
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244698
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 4248244
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 8873523
(2S)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524469
(2R)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524467
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide (CID 9244689) is 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is MVUOQNWOKFTBIH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16(31-20-13-7-17(15-25)8-14-20)23(28)26-19-11-9-18(10-12-19)24(29)27-21-5-3-4-6-22(21)30-2/h3-14,16H,1-2H3,(H,26,28)(H,27,29)/t16-/m0/s1.
What are the key properties of 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 415.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 9244689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).