1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea

C14H20N2O2 — CID 96831919

IUPAC1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea
SMILESC[C@@H]1C[C@@H]1NC(=O)NCCOCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-9-13(11)16-14(17)15-7-8-18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17)/t11-,13+/m1/s1
InChIKeyQRJLGDPOCMNOST-YPMHNXCESA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds6

About 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea

1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea (PubChem CID 96831919) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea
PubChem CID96831919
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea
SMILESC[C@@H]1C[C@@H]1NC(=O)NCCOCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-9-13(11)16-14(17)15-7-8-18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17)/t11-,13+/m1/s1
InChIKeyQRJLGDPOCMNOST-YPMHNXCESA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylmethoxyethyl)-3-(thian-4-yl)urea
CID 71981654
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
2-methyl-1-(2-methylcyclopropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111963724
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
1-ethyl-3-(2-methylcyclopropyl)-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111962110
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
1-(1,1-dioxothiolan-3-yl)-3-(3-phenylmethoxypropyl)urea
CID 51081517
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea
CID 71982689

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea?
The IUPAC name of 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea (CID 96831919) is 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea?
The canonical SMILES for 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea is C[C@@H]1C[C@@H]1NC(=O)NCCOCc1ccccc1.
What is the InChIKey of 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea?
The InChIKey is QRJLGDPOCMNOST-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-9-13(11)16-14(17)15-7-8-18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17)/t11-,13+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea?
1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea has a molecular weight of 248.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea is sourced from PubChem (CID 96831919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).