N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide

C22H29N3O3 — CID 55795743

IUPACN,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-25(6-2)21(26)19-11-7-17(8-12-19)15-23-22(27)24(3)16-18-9-13-20(28-4)14-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)
InChIKeyQYCHFPAINNNRHH-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds8

About N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide

N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide (PubChem CID 55795743) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
PubChem CID55795743
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-25(6-2)21(26)19-11-7-17(8-12-19)15-23-22(27)24(3)16-18-9-13-20(28-4)14-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)
InChIKeyQYCHFPAINNNRHH-UHFFFAOYSA-N
XLogP3.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[[N-[(4-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111272796
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86850598
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35628426
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide
CID 8500043
N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 166706560
4-[[[(2,4-dimethoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019707
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide (CID 55795743) is N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide is CCN(CC)C(=O)c1ccc(CNC(=O)N(C)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
The InChIKey is QYCHFPAINNNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-25(6-2)21(26)19-11-7-17(8-12-19)15-23-22(27)24(3)16-18-9-13-20(28-4)14-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,23,27).
What are the key properties of N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide is sourced from PubChem (CID 55795743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).