N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide

C20H26N4O2 — CID 108884218

IUPACN-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)c(C)c1
InChIInChI=1S/C20H26N4O2/c1-5-24(6-2)18-10-11-19(14(3)12-18)23-20(26)22-17-9-7-8-16(13-17)21-15(4)25/h7-13H,5-6H2,1-4H3,(H,21,25)(H2,22,23,26)
InChIKeyHTAMIUIIZRKMMH-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.44
Rot. Bonds6

About N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide

N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide (PubChem CID 108884218) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
PubChem CID108884218
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)c(C)c1
InChIInChI=1S/C20H26N4O2/c1-5-24(6-2)18-10-11-19(14(3)12-18)23-20(26)22-17-9-7-8-16(13-17)21-15(4)25/h7-13H,5-6H2,1-4H3,(H,21,25)(H2,22,23,26)
InChIKeyHTAMIUIIZRKMMH-UHFFFAOYSA-N
XLogP4.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
CID 108884217
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
1-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea chloride
CID 108885688
1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869898
methyl 3-[[2-[4-(diethylamino)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 108987541
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide (CID 108884218) is N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide is CCN(CC)c1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)c(C)c1.
What is the InChIKey of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is HTAMIUIIZRKMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-24(6-2)18-10-11-19(14(3)12-18)23-20(26)22-17-9-7-8-16(13-17)21-15(4)25/h7-13H,5-6H2,1-4H3,(H,21,25)(H2,22,23,26).
What are the key properties of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide?
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108884218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).