1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

C15H28N2O3 — CID 111630411

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCCCOCC1CC1)NC1CCCCC1CO
InChIInChI=1S/C15H28N2O3/c18-10-13-4-1-2-5-14(13)17-15(19)16-8-3-9-20-11-12-6-7-12/h12-14,18H,1-11H2,(H2,16,17,19)
InChIKeyVRBSWUWUFGIWQA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.65
Rot. Bonds8

About 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111630411) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111630411
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCCCOCC1CC1)NC1CCCCC1CO
InChIInChI=1S/C15H28N2O3/c18-10-13-4-1-2-5-14(13)17-15(19)16-8-3-9-20-11-12-6-7-12/h12-14,18H,1-11H2,(H2,16,17,19)
InChIKeyVRBSWUWUFGIWQA-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
1-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-[3-(cyclopropylmethoxy)propyl]urea
CID 97068596
1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630303
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 75425944
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(3-methylpiperidin-1-yl)propyl]urea
CID 111630554
1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea
CID 97080306
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]-2-methylpropanoic acid
CID 113363068
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethoxy]acetic acid
CID 106359300
N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
CID 52572173

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111630411) is 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is O=C(NCCCOCC1CC1)NC1CCCCC1CO.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is VRBSWUWUFGIWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-10-13-4-1-2-5-14(13)17-15(19)16-8-3-9-20-11-12-6-7-12/h12-14,18H,1-11H2,(H2,16,17,19).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 284.40 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111630411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).