1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea

C16H25N3O2 — CID 110892901

IUPAC1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCC(CO)NC(=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(12-20)17-16(21)18-15(11-19-9-5-6-10-19)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18,21)
InChIKeyVQOFNUYTPVOSLU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.50
Rot. Bonds6

About 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea

1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 110892901) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
PubChem CID110892901
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCC(CO)NC(=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(12-20)17-16(21)18-15(11-19-9-5-6-10-19)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18,21)
InChIKeyVQOFNUYTPVOSLU-UHFFFAOYSA-N
XLogP1.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
1-(furan-3-ylmethyl)-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 124626390
1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 124626389
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57193315
1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 75505367

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 110892901) is 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea is CC(CO)NC(=O)NC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is VQOFNUYTPVOSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(12-20)17-16(21)18-15(11-19-9-5-6-10-19)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 291.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 110892901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).