1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea

C14H22N2O2 — CID 97428690

IUPAC1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea
SMILESCCNC(=O)NC[C@](CC)(OC)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-4-14(18-3,11-16-13(17)15-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyWFIUVDPZMFCGBO-AWEZNQCLSA-N
MW250.34 g/mol
LogP2.26
Rot. Bonds6

About 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea

1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea (PubChem CID 97428690) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea
PubChem CID97428690
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea
SMILESCCNC(=O)NC[C@](CC)(OC)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-4-14(18-3,11-16-13(17)15-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyWFIUVDPZMFCGBO-AWEZNQCLSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea?
The IUPAC name of 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea (CID 97428690) is 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea?
The canonical SMILES for 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea is CCNC(=O)NC[C@](CC)(OC)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea?
The InChIKey is WFIUVDPZMFCGBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(18-3,11-16-13(17)15-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H2,15,16,17)/t14-/m0/s1.
What are the key properties of 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea?
1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2R)-2-methoxy-2-phenylbutyl]urea is sourced from PubChem (CID 97428690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).