3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea

C15H23N3O — CID 106613236

IUPAC3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)N(CC1CCCN1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12(2)18(11-14-9-6-10-16-14)15(19)17-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,6,9-11H2,1-2H3,(H,17,19)
InChIKeyPWQIGHVCCFWOOA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.68
Rot. Bonds4

About 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea

3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613236) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613236
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)N(CC1CCCN1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12(2)18(11-14-9-6-10-16-14)15(19)17-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,6,9-11H2,1-2H3,(H,17,19)
InChIKeyPWQIGHVCCFWOOA-UHFFFAOYSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
CID 106618033
3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613190
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350
N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614400
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
N-(2-anilino-2-oxoethyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364850
3-benzyl-1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 107654375

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea (CID 106613236) is 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea is CC(C)N(CC1CCCN1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is PWQIGHVCCFWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)18(11-14-9-6-10-16-14)15(19)17-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).