1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

C18H21N3O3 — CID 94166154

IUPAC1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccco1
InChIInChI=1S/C18H21N3O3/c1-13(16-7-4-10-24-16)20-18(23)19-12-14-5-2-6-15(11-14)21-9-3-8-17(21)22/h2,4-7,10-11,13H,3,8-9,12H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyUBOPQXMSTCLCAE-CYBMUJFWSA-N
MW327.38 g/mol
LogP2.97
Rot. Bonds5

About 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (PubChem CID 94166154) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
PubChem CID94166154
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccco1
InChIInChI=1S/C18H21N3O3/c1-13(16-7-4-10-24-16)20-18(23)19-12-14-5-2-6-15(11-14)21-9-3-8-17(21)22/h2,4-7,10-11,13H,3,8-9,12H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyUBOPQXMSTCLCAE-CYBMUJFWSA-N
XLogP2.97
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

3-[[1-(furan-2-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 61199837
2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 75526323
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97011479
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
4-(methoxymethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120622513
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248710

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (CID 94166154) is 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is C[C@@H](NC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccco1.
What is the InChIKey of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The InChIKey is UBOPQXMSTCLCAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(16-7-4-10-24-16)20-18(23)19-12-14-5-2-6-15(11-14)21-9-3-8-17(21)22/h2,4-7,10-11,13H,3,8-9,12H2,1H3,(H2,19,20,23)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea has a molecular weight of 327.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 94166154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).