N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide

C25H32N2O4 — CID 95770732

IUPACN-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide
SMILESCCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H32N2O4/c1-3-17-30-20-13-15-21(16-14-20)31-23-12-8-7-11-22(23)26-24(28)18-27(2)25(29)19-9-5-4-6-10-19/h4-6,9-10,13-16,22-23H,3,7-8,11-12,17-18H2,1-2H3,(H,26,28)/t22-,23+/m1/s1
InChIKeyFYTFUDVIOFMVIO-PKTZIBPZSA-N
MW424.54 g/mol
LogP4.05
Rot. Bonds9

About N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide

N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide (PubChem CID 95770732) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide
PubChem CID95770732
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide
SMILESCCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H32N2O4/c1-3-17-30-20-13-15-21(16-14-20)31-23-12-8-7-11-22(23)26-24(28)18-27(2)25(29)19-9-5-4-6-10-19/h4-6,9-10,13-16,22-23H,3,7-8,11-12,17-18H2,1-2H3,(H,26,28)/t22-,23+/m1/s1
InChIKeyFYTFUDVIOFMVIO-PKTZIBPZSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide with MolForge

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Related Compounds

2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
N-methyl-N-[2-[2-[(2-methylcyclohexyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 55577231
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
CID 126191202
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351
benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate
CID 170615975
N-[4-oxo-4-[[(1S,2S)-2-phenoxycyclohexyl]amino]butyl]cyclopropanecarboxamide
CID 95625915
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide
CID 97082762
N-[4-oxo-4-[(2-phenoxycyclopentyl)amino]butyl]cyclopropanecarboxamide
CID 71931515

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide (CID 95770732) is N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide is CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CN(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide?
The InChIKey is FYTFUDVIOFMVIO-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-3-17-30-20-13-15-21(16-14-20)31-23-12-8-7-11-22(23)26-24(28)18-27(2)25(29)19-9-5-4-6-10-19/h4-6,9-10,13-16,22-23H,3,7-8,11-12,17-18H2,1-2H3,(H,26,28)/t22-,23+/m1/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide?
N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide has a molecular weight of 424.54 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide is sourced from PubChem (CID 95770732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).