1-butyl-3-(3-methoxycyclopentyl)urea

C11H22N2O2 — CID 103082290

IUPAC1-butyl-3-(3-methoxycyclopentyl)urea
SMILESCCCCNC(=O)NC1CCC(OC)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-7-12-11(14)13-9-5-6-10(8-9)15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyCRVUSTMHUWVVFL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds5

About 1-butyl-3-(3-methoxycyclopentyl)urea

1-butyl-3-(3-methoxycyclopentyl)urea (PubChem CID 103082290) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-butyl-3-(3-methoxycyclopentyl)urea.

Molecular Properties

Compound Name1-butyl-3-(3-methoxycyclopentyl)urea
PubChem CID103082290
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-butyl-3-(3-methoxycyclopentyl)urea
SMILESCCCCNC(=O)NC1CCC(OC)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-7-12-11(14)13-9-5-6-10(8-9)15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyCRVUSTMHUWVVFL-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
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-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
N-(3-methoxycyclopentyl)butanamide
CID 103082475
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
1-methoxy-3-(3-methoxycyclopentyl)urea
CID 131201324
1-[(1R,3S)-3-methoxycyclopentyl]-3-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]urea
CID 99833380
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
1-butyl-3-(1,1-dioxothian-4-yl)urea
CID 115585815
3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032046
cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319606
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189
1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 99833373

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-methoxycyclopentyl)urea?
The IUPAC name of 1-butyl-3-(3-methoxycyclopentyl)urea (CID 103082290) is 1-butyl-3-(3-methoxycyclopentyl)urea.
What is the SMILES notation for 1-butyl-3-(3-methoxycyclopentyl)urea?
The canonical SMILES for 1-butyl-3-(3-methoxycyclopentyl)urea is CCCCNC(=O)NC1CCC(OC)C1.
What is the InChIKey of 1-butyl-3-(3-methoxycyclopentyl)urea?
The InChIKey is CRVUSTMHUWVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-7-12-11(14)13-9-5-6-10(8-9)15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-butyl-3-(3-methoxycyclopentyl)urea?
1-butyl-3-(3-methoxycyclopentyl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-methoxycyclopentyl)urea is sourced from PubChem (CID 103082290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).