1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C20H31N3O2 — CID 111508924

IUPAC1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NC(CO)Cc1ccccc1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C20H31N3O2/c24-15-19(12-16-6-2-1-3-7-16)22-20(25)21-18-10-11-23(14-18)13-17-8-4-5-9-17/h1-3,6-7,17-19,24H,4-5,8-15H2,(H2,21,22,25)
InChIKeyDRTBUHWMXCMNOB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.15
Rot. Bonds7

About 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 111508924) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID111508924
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NC(CO)Cc1ccccc1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C20H31N3O2/c24-15-19(12-16-6-2-1-3-7-16)22-20(25)21-18-10-11-23(14-18)13-17-8-4-5-9-17/h1-3,6-7,17-19,24H,4-5,8-15H2,(H2,21,22,25)
InChIKeyDRTBUHWMXCMNOB-UHFFFAOYSA-N
XLogP2.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050
1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 110900882
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea
CID 75494433
1-(1-benzylpiperidin-4-yl)-3-(1-phenyl-3-sulfanylpropan-2-yl)urea
CID 22905498
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566707
1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99698318
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566708
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 95968425
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 111508924) is 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is O=C(NC(CO)Cc1ccccc1)NC1CCN(CC2CCCC2)C1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is DRTBUHWMXCMNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-15-19(12-16-6-2-1-3-7-16)22-20(25)21-18-10-11-23(14-18)13-17-8-4-5-9-17/h1-3,6-7,17-19,24H,4-5,8-15H2,(H2,21,22,25).
What are the key properties of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 345.49 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 111508924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).