N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C22H28N2O4 — CID 46419166

IUPACN-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccccc1OCCNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C22H28N2O4/c1-15(2)20(24-21(25)17-9-7-8-16(3)14-17)22(26)23-12-13-28-19-11-6-5-10-18(19)27-4/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyUAXQHRVDWKXJQA-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.95
Rot. Bonds9

About N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 46419166) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID46419166
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccccc1OCCNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C22H28N2O4/c1-15(2)20(24-21(25)17-9-7-8-16(3)14-17)22(26)23-12-13-28-19-11-6-5-10-18(19)27-4/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyUAXQHRVDWKXJQA-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46425068
2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55343742
N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18113511
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51316830
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801412
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 46419166) is N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is COc1ccccc1OCCNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C.
What is the InChIKey of N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is UAXQHRVDWKXJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)20(24-21(25)17-9-7-8-16(3)14-17)22(26)23-12-13-28-19-11-6-5-10-18(19)27-4/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 46419166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).