1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea

C16H30N2O3 — CID 75432538

IUPAC1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea
SMILESCOC1CCCCCC1NC(=O)N(C)CC1CCCC1O
InChIInChI=1S/C16H30N2O3/c1-18(11-12-7-6-9-14(12)19)16(20)17-13-8-4-3-5-10-15(13)21-2/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyQRGPIBOWZDMJMY-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.14
Rot. Bonds4

About 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea

1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea (PubChem CID 75432538) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea
PubChem CID75432538
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea
SMILESCOC1CCCCCC1NC(=O)N(C)CC1CCCC1O
InChIInChI=1S/C16H30N2O3/c1-18(11-12-7-6-9-14(12)19)16(20)17-13-8-4-3-5-10-15(13)21-2/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyQRGPIBOWZDMJMY-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398738
1,1-diethyl-3-(2-methoxycyclopentyl)urea
CID 115693925
2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol
CID 62088396
3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
CID 62088099
3-[(1R,2R)-2-methoxycyclohexyl]-1-methyl-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]urea
CID 99107242
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 96565800
1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea
CID 100860084
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
CID 96565801
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
S-methyl N-[(1R,2S)-2-methoxycyclohexyl]carbamothioate
CID 41097231
3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011987

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea (CID 75432538) is 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea is COC1CCCCCC1NC(=O)N(C)CC1CCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea?
The InChIKey is QRGPIBOWZDMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-18(11-12-7-6-9-14(12)19)16(20)17-13-8-4-3-5-10-15(13)21-2/h12-15,19H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea?
1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea has a molecular weight of 298.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea is sourced from PubChem (CID 75432538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).