1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea

C15H22N2O3 — CID 95968582

IUPAC1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
SMILESCOc1cccc(O[C@@H](C)CNC(=O)N(C)C2CC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(10-16-15(18)17(2)12-7-8-12)20-14-6-4-5-13(9-14)19-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyPEMPRLXDTUUIQK-NSHDSACASA-N
MW278.35 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea

1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea (PubChem CID 95968582) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
PubChem CID95968582
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
SMILESCOc1cccc(O[C@@H](C)CNC(=O)N(C)C2CC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(10-16-15(18)17(2)12-7-8-12)20-14-6-4-5-13(9-14)19-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyPEMPRLXDTUUIQK-NSHDSACASA-N
XLogP2.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methoxyphenoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004022
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679477
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111680063
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111501931
1-methoxy-3-(4-methylpentan-2-yloxy)benzene
CID 102109501
2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid
CID 166332017
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528
N-cyclopentyl-3-[[N-[2-(3-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111679982

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea?
The IUPAC name of 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea (CID 95968582) is 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea.
What is the SMILES notation for 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea?
The canonical SMILES for 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea is COc1cccc(O[C@@H](C)CNC(=O)N(C)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea?
The InChIKey is PEMPRLXDTUUIQK-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(10-16-15(18)17(2)12-7-8-12)20-14-6-4-5-13(9-14)19-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea?
1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea has a molecular weight of 278.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea is sourced from PubChem (CID 95968582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).