1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea

C23H26N4O2 — CID 141016986

IUPAC1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea
SMILESCCN(C)c1ccn(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-4-26(3)20-13-14-27(16-20)22(28)15-18-9-11-19(12-10-18)24-23(29)25-21-8-6-5-7-17(21)2/h5-14,16H,4,15H2,1-3H3,(H2,24,25,29)
InChIKeyQTALOAPXKZDSCL-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.78
Rot. Bonds6

About 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea

1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea (PubChem CID 141016986) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea
PubChem CID141016986
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea
SMILESCCN(C)c1ccn(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-4-26(3)20-13-14-27(16-20)22(28)15-18-9-11-19(12-10-18)24-23(29)25-21-8-6-5-7-17(21)2/h5-14,16H,4,15H2,1-3H3,(H2,24,25,29)
InChIKeyQTALOAPXKZDSCL-UHFFFAOYSA-N
XLogP4.78
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
2-formamidoacetic acid;1-(2-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 176980922
1-[4-[amino-[(Z)-2-aminobut-1-enyl]amino]phenyl]-3-(2-methylphenyl)urea
CID 170202245
1-[4-[amino-[(Z)-2-amino-3-hydroxyprop-1-enyl]amino]phenyl]-3-(2-methylphenyl)urea
CID 166862280
2-[1-[2-[methyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]ethyl]piperidin-4-yl]acetic acid
CID 20737923
4-[(E)-2-[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidin-2-yl]ethenyl]benzoic acid
CID 23511879
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
N-[[2-[ethyl(methyl)amino]phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 56803385
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
4-[[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]-(2-methylpropyl)amino]benzoic acid
CID 10164775
2-[[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 20794072

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea (CID 141016986) is 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea is CCN(C)c1ccn(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c1.
What is the InChIKey of 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea?
The InChIKey is QTALOAPXKZDSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-26(3)20-13-14-27(16-20)22(28)15-18-9-11-19(12-10-18)24-23(29)25-21-8-6-5-7-17(21)2/h5-14,16H,4,15H2,1-3H3,(H2,24,25,29).
What are the key properties of 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea?
1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea has a molecular weight of 390.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-[ethyl(methyl)amino]pyrrol-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 141016986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).