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

C20H26ClN4O2- — CID 108884217

IUPACN-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)c(C)c1.[Cl-]
InChIInChI=1S/C20H26N4O2.ClH/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);1H/p-1
InChIKeyIZVJUHCLWIVHBX-UHFFFAOYSA-M
MW389.91 g/mol
LogP1.45
Rot. Bonds6

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

N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride (PubChem CID 108884217) has the molecular formula C20H26ClN4O2- and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride.

Molecular Properties

Compound NameN-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
PubChem CID108884217
Molecular FormulaC20H26ClN4O2-
Molecular Weight389.91 g/mol
Exact Mass389.17
IUPAC NameN-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)c(C)c1.[Cl-]
InChIInChI=1S/C20H26N4O2.ClH/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);1H/p-1
InChIKeyIZVJUHCLWIVHBX-UHFFFAOYSA-M
XLogP1.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.45
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
CID 108884218
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-(2,3-dimethylquinoxalin-6-yl)urea chloride
CID 108885688
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride?
The IUPAC name of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride (CID 108884217) is N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride.
What is the SMILES notation for N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride?
The canonical SMILES for N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride is CCN(CC)c1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)c(C)c1.[Cl-].
What is the InChIKey of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride?
The InChIKey is IZVJUHCLWIVHBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H26N4O2.ClH/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);1H/p-1.
What are the key properties of N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride?
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride has a molecular weight of 389.91 g/mol, XLogP of 1.45, 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 chloride is sourced from PubChem (CID 108884217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).