N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen

C26H32N2O3 — CID 144901089

IUPACN-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen
SMILESCOc1cccc(NC(=O)C(CCCc2ccccc2)NC(=O)c2ccccc2)c1C.[H][H].[H][H]
InChIInChI=1S/C26H28N2O3.2H2/c1-19-22(16-10-18-24(19)31-2)27-26(30)23(17-9-13-20-11-5-3-6-12-20)28-25(29)21-14-7-4-8-15-21;;/h3-8,10-12,14-16,18,23H,9,13,17H2,1-2H3,(H,27,30)(H,28,29);2*1H
InChIKeyARNMLDNTZBONKU-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.26
Rot. Bonds9

About N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen

N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen (PubChem CID 144901089) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen
PubChem CID144901089
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen
SMILESCOc1cccc(NC(=O)C(CCCc2ccccc2)NC(=O)c2ccccc2)c1C.[H][H].[H][H]
InChIInChI=1S/C26H28N2O3.2H2/c1-19-22(16-10-18-24(19)31-2)27-26(30)23(17-9-13-20-11-5-3-6-12-20)28-25(29)21-14-7-4-8-15-21;;/h3-8,10-12,14-16,18,23H,9,13,17H2,1-2H3,(H,27,30)(H,28,29);2*1H
InChIKeyARNMLDNTZBONKU-UHFFFAOYSA-N
XLogP5.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 153367752
molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide
CID 153367729
N-[1-[2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296459
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901027
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 94183054
4-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]butanoic acid;4-[4-[(2-methylphenyl)carbamoylamino]phenyl]butanoic acid
CID 91490527
(4S)-5-oxo-4-[(4-phenylbenzoyl)amino]-5-(4-phenylbutylamino)pentanoic acid
CID 67332259
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen?
The IUPAC name of N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen (CID 144901089) is N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen.
What is the SMILES notation for N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen?
The canonical SMILES for N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen is COc1cccc(NC(=O)C(CCCc2ccccc2)NC(=O)c2ccccc2)c1C.[H][H].[H][H].
What is the InChIKey of N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen?
The InChIKey is ARNMLDNTZBONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3.2H2/c1-19-22(16-10-18-24(19)31-2)27-26(30)23(17-9-13-20-11-5-3-6-12-20)28-25(29)21-14-7-4-8-15-21;;/h3-8,10-12,14-16,18,23H,9,13,17H2,1-2H3,(H,27,30)(H,28,29);2*1H.
What are the key properties of N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen?
N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen has a molecular weight of 420.55 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-2-methylanilino)-1-oxo-5-phenylpentan-2-yl]benzamide;molecular hydrogen is sourced from PubChem (CID 144901089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).