1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea

C14H16N4O2 — CID 3088717

IUPAC1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea
SMILESCOc1cccc(NC(=O)NN=Cc2cccn2C)c1
InChIInChI=1S/C14H16N4O2/c1-18-8-4-6-12(18)10-15-17-14(19)16-11-5-3-7-13(9-11)20-2/h3-10H,1-2H3,(H2,16,17,19)
InChIKeySSPJOVCZZVRSES-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.19
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea

1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea (PubChem CID 3088717) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea
PubChem CID3088717
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea
SMILESCOc1cccc(NC(=O)NN=Cc2cccn2C)c1
InChIInChI=1S/C14H16N4O2/c1-18-8-4-6-12(18)10-15-17-14(19)16-11-5-3-7-13(9-11)20-2/h3-10H,1-2H3,(H2,16,17,19)
InChIKeySSPJOVCZZVRSES-UHFFFAOYSA-N
XLogP2.19
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
CID 6450773
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea
CID 126019313
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-methoxyphenyl)-3-[(E)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea
CID 46372073
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
CID 3318003
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea (CID 3088717) is 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea is COc1cccc(NC(=O)NN=Cc2cccn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea?
The InChIKey is SSPJOVCZZVRSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-8-4-6-12(18)10-15-17-14(19)16-11-5-3-7-13(9-11)20-2/h3-10H,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea?
1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea has a molecular weight of 272.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea is sourced from PubChem (CID 3088717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).