1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea

C19H26N4O2 — CID 71980803

IUPAC1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
SMILESCn1ccc(CNC(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H26N4O2/c1-22-8-7-16(15-22)13-20-19(24)21-14-18(17-5-3-2-4-6-17)23-9-11-25-12-10-23/h2-8,15,18H,9-14H2,1H3,(H2,20,21,24)
InChIKeyBWHCIGXMRXOZHO-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.90
Rot. Bonds6

About 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea

1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea (PubChem CID 71980803) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
PubChem CID71980803
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
SMILESCn1ccc(CNC(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H26N4O2/c1-22-8-7-16(15-22)13-20-19(24)21-14-18(17-5-3-2-4-6-17)23-9-11-25-12-10-23/h2-8,15,18H,9-14H2,1H3,(H2,20,21,24)
InChIKeyBWHCIGXMRXOZHO-UHFFFAOYSA-N
XLogP1.90
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111967441
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86882877
1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
The IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea (CID 71980803) is 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea.
What is the SMILES notation for 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
The canonical SMILES for 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea is Cn1ccc(CNC(=O)NCC(c2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
The InChIKey is BWHCIGXMRXOZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-8-7-16(15-22)13-20-19(24)21-14-18(17-5-3-2-4-6-17)23-9-11-25-12-10-23/h2-8,15,18H,9-14H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea has a molecular weight of 342.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea is sourced from PubChem (CID 71980803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).