1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea

C14H22N2O2 — CID 97417874

IUPAC1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
SMILESCO[C@@H](CNC(=O)NC(C)C)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)15-9-13(18-4)12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H2,15,16,17)/t13-/m0/s1
InChIKeyZVOFBBKANJMUSU-ZDUSSCGKSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds5

About 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea (PubChem CID 97417874) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
PubChem CID97417874
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
SMILESCO[C@@H](CNC(=O)NC(C)C)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)15-9-13(18-4)12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H2,15,16,17)/t13-/m0/s1
InChIKeyZVOFBBKANJMUSU-ZDUSSCGKSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
CID 62108356
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
CID 71810558
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682
1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417893
1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71810588
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea (CID 97417874) is 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea is CO[C@@H](CNC(=O)NC(C)C)c1ccccc1C.
What is the InChIKey of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea?
The InChIKey is ZVOFBBKANJMUSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-14(17)15-9-13(18-4)12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H2,15,16,17)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea?
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea has a molecular weight of 250.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 97417874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).