N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide

C22H30N4O2 — CID 86862691

IUPACN-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)16-19-9-7-18(8-10-19)15-23-22(28)24-20-11-13-21(14-12-20)25(4)17(3)27/h7-14H,5-6,15-16H2,1-4H3,(H2,23,24,28)
InChIKeyFJNAHHJXLMQBBQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.83
Rot. Bonds8

About N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide

N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide (PubChem CID 86862691) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide
PubChem CID86862691
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)16-19-9-7-18(8-10-19)15-23-22(28)24-20-11-13-21(14-12-20)25(4)17(3)27/h7-14H,5-6,15-16H2,1-4H3,(H2,23,24,28)
InChIKeyFJNAHHJXLMQBBQ-UHFFFAOYSA-N
XLogP3.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
CID 60568186
N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 166706560
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
methyl 4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoylamino]benzoate
CID 47039872
2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
CID 86862600
2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 86988845
4-[[[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]carbamoylamino]methyl]benzoic acid
CID 122085075

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide (CID 86862691) is N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide is CCN(CC)Cc1ccc(CNC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide?
The InChIKey is FJNAHHJXLMQBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-26(6-2)16-19-9-7-18(8-10-19)15-23-22(28)24-20-11-13-21(14-12-20)25(4)17(3)27/h7-14H,5-6,15-16H2,1-4H3,(H2,23,24,28).
What are the key properties of N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide?
N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide has a molecular weight of 382.51 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 86862691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).