N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide

C21H27N3O4 — CID 47067365

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C21H27N3O4/c1-15(2)22-21(26)23-17-9-7-8-16(14-17)20(25)24(3)12-13-28-19-11-6-5-10-18(19)27-4/h5-11,14-15H,12-13H2,1-4H3,(H2,22,23,26)
InChIKeyFXKVRPYEBDXBRZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 47067365) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID47067365
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C21H27N3O4/c1-15(2)22-21(26)23-17-9-7-8-16(14-17)20(25)24(3)12-13-28-19-11-6-5-10-18(19)27-4/h5-11,14-15H,12-13H2,1-4H3,(H2,22,23,26)
InChIKeyFXKVRPYEBDXBRZ-UHFFFAOYSA-N
XLogP3.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650177
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 9225229
N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55948305
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 86780225
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051980
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide (CID 47067365) is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide is COc1ccccc1OCCN(C)C(=O)c1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is FXKVRPYEBDXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15(2)22-21(26)23-17-9-7-8-16(14-17)20(25)24(3)12-13-28-19-11-6-5-10-18(19)27-4/h5-11,14-15H,12-13H2,1-4H3,(H2,22,23,26).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 385.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47067365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).