1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea

C19H28N2O3 — CID 125130781

IUPAC1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)[C@H]1CCOC1
InChIInChI=1S/C19H28N2O3/c1-14(16-10-11-23-13-16)21-19(22)20-12-15-6-8-18(9-7-15)24-17-4-2-3-5-17/h6-9,14,16-17H,2-5,10-13H2,1H3,(H2,20,21,22)/t14-,16-/m0/s1
InChIKeyCOEKEYQJFNNKFT-HOCLYGCPSA-N
MW332.44 g/mol
LogP3.23
Rot. Bonds6

About 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea

1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea (PubChem CID 125130781) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea
PubChem CID125130781
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)[C@H]1CCOC1
InChIInChI=1S/C19H28N2O3/c1-14(16-10-11-23-13-16)21-19(22)20-12-15-6-8-18(9-7-15)24-17-4-2-3-5-17/h6-9,14,16-17H,2-5,10-13H2,1H3,(H2,20,21,22)/t14-,16-/m0/s1
InChIKeyCOEKEYQJFNNKFT-HOCLYGCPSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The IUPAC name of 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea (CID 125130781) is 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea.
What is the SMILES notation for 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The canonical SMILES for 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea is C[C@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)[C@H]1CCOC1.
What is the InChIKey of 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The InChIKey is COEKEYQJFNNKFT-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(16-10-11-23-13-16)21-19(22)20-12-15-6-8-18(9-7-15)24-17-4-2-3-5-17/h6-9,14,16-17H,2-5,10-13H2,1H3,(H2,20,21,22)/t14-,16-/m0/s1.
What are the key properties of 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea?
1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea has a molecular weight of 332.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea is sourced from PubChem (CID 125130781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).