1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea

C18H25N3O2 — CID 3884877

IUPAC1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCOCCCN(Cc1cccn1C)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H25N3O2/c1-15-8-4-5-10-17(15)19-18(22)21(12-7-13-23-3)14-16-9-6-11-20(16)2/h4-6,8-11H,7,12-14H2,1-3H3,(H,19,22)
InChIKeyXVBRXSOGSHDPAX-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.40
Rot. Bonds7

About 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea

1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea (PubChem CID 3884877) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
PubChem CID3884877
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCOCCCN(Cc1cccn1C)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H25N3O2/c1-15-8-4-5-10-17(15)19-18(22)21(12-7-13-23-3)14-16-9-6-11-20(16)2/h4-6,8-11H,7,12-14H2,1-3H3,(H,19,22)
InChIKeyXVBRXSOGSHDPAX-UHFFFAOYSA-N
XLogP3.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(2,3-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3476329
2-[(2-fluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4221802
3-(2,6-dichlorophenyl)-1-(3-methoxypropyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 42662613
2-[butan-2-yl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3644116
N-butyl-2-[(2,6-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3650207
1-(3-methoxypropyl)-1-[(1-methylpyrrol-2-yl)methyl]-3-(4-methylsulfanylphenyl)urea
CID 4317615
1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 53016552
2-[butyl-[(2-ethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3365022
N-cyclopropyl-2-[(2-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3887367
2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768091
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
N-butyl-2-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3650210

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea (CID 3884877) is 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea is COCCCN(Cc1cccn1C)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
The InChIKey is XVBRXSOGSHDPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-15-8-4-5-10-17(15)19-18(22)21(12-7-13-23-3)14-16-9-6-11-20(16)2/h4-6,8-11H,7,12-14H2,1-3H3,(H,19,22).
What are the key properties of 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea has a molecular weight of 315.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea is sourced from PubChem (CID 3884877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).