1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea

C14H21N3O2 — CID 117235618

IUPAC1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
SMILESCOc1ccc(CNC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C14H21N3O2/c1-19-13-6-4-11(5-7-13)9-16-14(18)17-10-12-3-2-8-15-12/h4-7,12,15H,2-3,8-10H2,1H3,(H2,16,17,18)
InChIKeyXXCCBGQAVLMJST-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea

1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea (PubChem CID 117235618) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
PubChem CID117235618
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
SMILESCOc1ccc(CNC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C14H21N3O2/c1-19-13-6-4-11(5-7-13)9-16-14(18)17-10-12-3-2-8-15-12/h4-7,12,15H,2-3,8-10H2,1H3,(H2,16,17,18)
InChIKeyXXCCBGQAVLMJST-UHFFFAOYSA-N
XLogP1.25
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 146092570
1-[(3,4-dichlorophenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea;formic acid
CID 154908582
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
CID 23732897
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea (CID 117235618) is 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea is COc1ccc(CNC(=O)NCC2CCCN2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is XXCCBGQAVLMJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-6-4-11(5-7-13)9-16-14(18)17-10-12-3-2-8-15-12/h4-7,12,15H,2-3,8-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea?
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 263.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 117235618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).