1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea

C12H17N3O2 — CID 61310941

IUPAC1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
SMILESCOc1cccc(NC(=O)NC2CCNC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-11-4-2-3-9(7-11)14-12(16)15-10-5-6-13-8-10/h2-4,7,10,13H,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyTVCUARRDQCKDTF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.18
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea

1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea (PubChem CID 61310941) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
PubChem CID61310941
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
SMILESCOc1cccc(NC(=O)NC2CCNC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-11-4-2-3-9(7-11)14-12(16)15-10-5-6-13-8-10/h2-4,7,10,13H,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyTVCUARRDQCKDTF-UHFFFAOYSA-N
XLogP1.18
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea
CID 61322127
2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
CID 119449915
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649
1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451413
N-(3-methoxyphenyl)-2-pyrrolidin-3-yloxyacetamide
CID 62327564
1-(3-methoxyphenyl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91161259
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
1-[(1S,5S)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(3-methoxyphenyl)urea
CID 98109689

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea?
The IUPAC name of 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea (CID 61310941) is 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea is COc1cccc(NC(=O)NC2CCNC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea?
The InChIKey is TVCUARRDQCKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11-4-2-3-9(7-11)14-12(16)15-10-5-6-13-8-10/h2-4,7,10,13H,5-6,8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea?
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea has a molecular weight of 235.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea is sourced from PubChem (CID 61310941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).