1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea

C14H26N2O3 — CID 99108108

IUPAC1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea
SMILESCO[C@@H]1CCCCC[C@H]1NC(=O)N[C@@]1(C)CCOC1
InChIInChI=1S/C14H26N2O3/c1-14(8-9-19-10-14)16-13(17)15-11-6-4-3-5-7-12(11)18-2/h11-12H,3-10H2,1-2H3,(H2,15,16,17)/t11-,12-,14+/m1/s1
InChIKeyIVYMBCBIXZRTLX-BZPMIXESSA-N
MW270.37 g/mol
LogP1.81
Rot. Bonds3

About 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea

1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea (PubChem CID 99108108) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea
PubChem CID99108108
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea
SMILESCO[C@@H]1CCCCC[C@H]1NC(=O)N[C@@]1(C)CCOC1
InChIInChI=1S/C14H26N2O3/c1-14(8-9-19-10-14)16-13(17)15-11-6-4-3-5-7-12(11)18-2/h11-12H,3-10H2,1-2H3,(H2,15,16,17)/t11-,12-,14+/m1/s1
InChIKeyIVYMBCBIXZRTLX-BZPMIXESSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea with MolForge

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Related Compounds

4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238773
S-methyl N-[(1R,2S)-2-methoxycyclohexyl]carbamothioate
CID 41097231
2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817335
1-tert-butyl-3-(3-methyloxolan-3-yl)urea
CID 115766446
1-ethoxy-3-(3-methyloxolan-3-yl)urea
CID 130615932
1-amino-N-(2-methoxycyclopentyl)cyclopropane-1-carboxamide
CID 65466235
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 95968425
1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62088973
N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide
CID 129433376
3-[[(2-methoxycyclopentyl)amino]methyl]oxolan-3-amine
CID 64892424
4-[(2-hydroxycyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293125
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea?
The IUPAC name of 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea (CID 99108108) is 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea?
The canonical SMILES for 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea is CO[C@@H]1CCCCC[C@H]1NC(=O)N[C@@]1(C)CCOC1.
What is the InChIKey of 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea?
The InChIKey is IVYMBCBIXZRTLX-BZPMIXESSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(8-9-19-10-14)16-13(17)15-11-6-4-3-5-7-12(11)18-2/h11-12H,3-10H2,1-2H3,(H2,15,16,17)/t11-,12-,14+/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea?
1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methoxycycloheptyl]-3-[(3S)-3-methyloxolan-3-yl]urea is sourced from PubChem (CID 99108108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).