N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide

C18H25N5O2 — CID 71984767

IUPACN-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCc2nccn2CC(C)C)c1
InChIInChI=1S/C18H25N5O2/c1-13(2)12-23-9-8-19-17(23)11-20-18(25)21-15-6-5-7-16(10-15)22(4)14(3)24/h5-10,13H,11-12H2,1-4H3,(H2,20,21,25)
InChIKeyKUMSJGAVFIHBSC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.84
Rot. Bonds6

About N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide

N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide (PubChem CID 71984767) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide
PubChem CID71984767
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCc2nccn2CC(C)C)c1
InChIInChI=1S/C18H25N5O2/c1-13(2)12-23-9-8-19-17(23)11-20-18(25)21-15-6-5-7-16(10-15)22(4)14(3)24/h5-10,13H,11-12H2,1-4H3,(H2,20,21,25)
InChIKeyKUMSJGAVFIHBSC-UHFFFAOYSA-N
XLogP2.84
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide 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-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71992418
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide
CID 126451419
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 166218702
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
CID 75477546
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295845
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71870305
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide (CID 71984767) is N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide is CC(=O)N(C)c1cccc(NC(=O)NCc2nccn2CC(C)C)c1.
What is the InChIKey of N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide?
The InChIKey is KUMSJGAVFIHBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)12-23-9-8-19-17(23)11-20-18(25)21-15-6-5-7-16(10-15)22(4)14(3)24/h5-10,13H,11-12H2,1-4H3,(H2,20,21,25).
What are the key properties of N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide?
N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 71984767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).