1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea

C18H33N3O3 — CID 166262839

IUPAC1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea
SMILESCCN1CC(CNC(=O)NC(CCO)C2CCCCCC2)CC1=O
InChIInChI=1S/C18H33N3O3/c1-2-21-13-14(11-17(21)23)12-19-18(24)20-16(9-10-22)15-7-5-3-4-6-8-15/h14-16,22H,2-13H2,1H3,(H2,19,20,24)
InChIKeySICIPRGIBALDDP-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.88
Rot. Bonds7

About 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea

1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea (PubChem CID 166262839) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea
PubChem CID166262839
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea
SMILESCCN1CC(CNC(=O)NC(CCO)C2CCCCCC2)CC1=O
InChIInChI=1S/C18H33N3O3/c1-2-21-13-14(11-17(21)23)12-19-18(24)20-16(9-10-22)15-7-5-3-4-6-8-15/h14-16,22H,2-13H2,1H3,(H2,19,20,24)
InChIKeySICIPRGIBALDDP-UHFFFAOYSA-N
XLogP1.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea
CID 166262712
4-[[(1-cyclohexyl-3-hydroxypropyl)carbamoylamino]methyl]benzoic acid
CID 122020232
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75429899
(3R)-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97235350
N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide
CID 110017570
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea
CID 86969896
1-cyclohexyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40912999
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639

Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea (CID 166262839) is 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea is CCN1CC(CNC(=O)NC(CCO)C2CCCCCC2)CC1=O.
What is the InChIKey of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea?
The InChIKey is SICIPRGIBALDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-2-21-13-14(11-17(21)23)12-19-18(24)20-16(9-10-22)15-7-5-3-4-6-8-15/h14-16,22H,2-13H2,1H3,(H2,19,20,24).
What are the key properties of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea?
1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea has a molecular weight of 339.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 166262839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).