1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea

C16H30N2O3 — CID 99830189

IUPAC1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
SMILESCO[C@H]1CC[C@@H](NC(=O)NC2CCC(OC(C)C)CC2)C1
InChIInChI=1S/C16H30N2O3/c1-11(2)21-14-7-4-12(5-8-14)17-16(19)18-13-6-9-15(10-13)20-3/h11-15H,4-10H2,1-3H3,(H2,17,18,19)/t12?,13-,14?,15+/m1/s1
InChIKeyPKWOMXSZLNZWTP-JYVUQVBGSA-N
MW298.43 g/mol
LogP2.59
Rot. Bonds5

About 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea

1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea (PubChem CID 99830189) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
PubChem CID99830189
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
SMILESCO[C@H]1CC[C@@H](NC(=O)NC2CCC(OC(C)C)CC2)C1
InChIInChI=1S/C16H30N2O3/c1-11(2)21-14-7-4-12(5-8-14)17-16(19)18-13-6-9-15(10-13)20-3/h11-15H,4-10H2,1-3H3,(H2,17,18,19)/t12?,13-,14?,15+/m1/s1
InChIKeyPKWOMXSZLNZWTP-JYVUQVBGSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea?
The IUPAC name of 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea (CID 99830189) is 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea is CO[C@H]1CC[C@@H](NC(=O)NC2CCC(OC(C)C)CC2)C1.
What is the InChIKey of 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea?
The InChIKey is PKWOMXSZLNZWTP-JYVUQVBGSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)21-14-7-4-12(5-8-14)17-16(19)18-13-6-9-15(10-13)20-3/h11-15H,4-10H2,1-3H3,(H2,17,18,19)/t12?,13-,14?,15+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea?
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea has a molecular weight of 298.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea is sourced from PubChem (CID 99830189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).