1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea

C17H26N2O2 — CID 134006695

IUPAC1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)NC(C)C1CCCO1
InChIInChI=1S/C17H26N2O2/c1-13(10-11-15-7-4-3-5-8-15)18-17(20)19-14(2)16-9-6-12-21-16/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H2,18,19,20)
InChIKeyAXDTYNBMEOEUOU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.87
Rot. Bonds6

About 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea

1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 134006695) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
PubChem CID134006695
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)NC(C)C1CCCO1
InChIInChI=1S/C17H26N2O2/c1-13(10-11-15-7-4-3-5-8-15)18-17(20)19-14(2)16-9-6-12-21-16/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H2,18,19,20)
InChIKeyAXDTYNBMEOEUOU-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147
(2R)-2-(1-bromo-3-phenylpropyl)oxolane
CID 139247608
2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid
CID 62711751
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea (CID 134006695) is 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea is CC(CCc1ccccc1)NC(=O)NC(C)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is AXDTYNBMEOEUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(10-11-15-7-4-3-5-8-15)18-17(20)19-14(2)16-9-6-12-21-16/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 134006695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).