2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide

C22H29N3O2 — CID 74248689

IUPAC2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCCC(NC(=O)Nc1ccccc1CC(=O)N(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-6-19(18-12-11-15(2)16(3)13-18)23-22(27)24-20-10-8-7-9-17(20)14-21(26)25(4)5/h7-13,19H,6,14H2,1-5H3,(H2,23,24,27)
InChIKeySLNSEILJPAAJKA-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.21
Rot. Bonds6

About 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide

2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 74248689) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide
PubChem CID74248689
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCCC(NC(=O)Nc1ccccc1CC(=O)N(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-6-19(18-12-11-15(2)16(3)13-18)23-22(27)24-20-10-8-7-9-17(20)14-21(26)25(4)5/h7-13,19H,6,14H2,1-5H3,(H2,23,24,27)
InChIKeySLNSEILJPAAJKA-UHFFFAOYSA-N
XLogP4.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide 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

N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
2-(2-chlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 100633604
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056
N-[1-(3,4-dimethylphenyl)propyl]-3-naphthalen-1-ylpropanamide
CID 132652663
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea
CID 92689614
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide (CID 74248689) is 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide is CCC(NC(=O)Nc1ccccc1CC(=O)N(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is SLNSEILJPAAJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-19(18-12-11-15(2)16(3)13-18)23-22(27)24-20-10-8-7-9-17(20)14-21(26)25(4)5/h7-13,19H,6,14H2,1-5H3,(H2,23,24,27).
What are the key properties of 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 367.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 74248689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).