N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide

C20H25N3O3 — CID 166706560

IUPACN-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1)C(C)=O
InChIInChI=1S/C20H25N3O3/c1-4-23(15(2)24)14-17-5-9-18(10-6-17)22-20(25)21-13-16-7-11-19(26-3)12-8-16/h5-12H,4,13-14H2,1-3H3,(H2,21,22,25)
InChIKeyAWGPCXDPDLUBMN-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.39
Rot. Bonds7

About N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide

N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide (PubChem CID 166706560) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
PubChem CID166706560
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1)C(C)=O
InChIInChI=1S/C20H25N3O3/c1-4-23(15(2)24)14-17-5-9-18(10-6-17)22-20(25)21-13-16-7-11-19(26-3)12-8-16/h5-12H,4,13-14H2,1-3H3,(H2,21,22,25)
InChIKeyAWGPCXDPDLUBMN-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825173
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide (CID 166706560) is N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide is CCN(Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1)C(C)=O.
What is the InChIKey of N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
The InChIKey is AWGPCXDPDLUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-23(15(2)24)14-17-5-9-18(10-6-17)22-20(25)21-13-16-7-11-19(26-3)12-8-16/h5-12H,4,13-14H2,1-3H3,(H2,21,22,25).
What are the key properties of N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 166706560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).