N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide

C21H26N2O4 — CID 30309174

IUPACN-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
SMILESCOc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1NC(=O)C(C)C
InChIInChI=1S/C21H26N2O4/c1-14(2)19(24)23-17-12-11-15(13-18(17)26-5)22-20(25)21(3,4)27-16-9-7-6-8-10-16/h6-14H,1-5H3,(H,22,25)(H,23,24)
InChIKeyOVGSNYZEZRDUGX-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.09
Rot. Bonds7

About N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide (PubChem CID 30309174) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
PubChem CID30309174
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
SMILESCOc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1NC(=O)C(C)C
InChIInChI=1S/C21H26N2O4/c1-14(2)19(24)23-17-12-11-15(13-18(17)26-5)22-20(25)21(3,4)27-16-9-7-6-8-10-16/h6-14H,1-5H3,(H,22,25)(H,23,24)
InChIKeyOVGSNYZEZRDUGX-UHFFFAOYSA-N
XLogP4.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 1248582
N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
CID 1298914
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
CID 953068
2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide
CID 9204506
3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
4-tert-butyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 3775032
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 2237008
N-[2-methoxy-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 3335427
N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 851541
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide (CID 30309174) is N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide is COc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide?
The InChIKey is OVGSNYZEZRDUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)19(24)23-17-12-11-15(13-18(17)26-5)22-20(25)21(3,4)27-16-9-7-6-8-10-16/h6-14H,1-5H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide?
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide has a molecular weight of 370.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30309174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).