1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea

C18H35N3O2 — CID 110894656

IUPAC1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
SMILESCC(C)C(CNC(=O)NC1CCC(O)CC1)N1CCCCCC1
InChIInChI=1S/C18H35N3O2/c1-14(2)17(21-11-5-3-4-6-12-21)13-19-18(23)20-15-7-9-16(22)10-8-15/h14-17,22H,3-13H2,1-2H3,(H2,19,20,23)
InChIKeyYBVCVWYYBQAPHP-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea

1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 110894656) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID110894656
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
SMILESCC(C)C(CNC(=O)NC1CCC(O)CC1)N1CCCCCC1
InChIInChI=1S/C18H35N3O2/c1-14(2)17(21-11-5-3-4-6-12-21)13-19-18(23)20-15-7-9-16(22)10-8-15/h14-17,22H,3-13H2,1-2H3,(H2,19,20,23)
InChIKeyYBVCVWYYBQAPHP-UHFFFAOYSA-N
XLogP2.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea with MolForge

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Related Compounds

1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
CID 110402862
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide
CID 111101945
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892520
2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111937327
1-cyclohexyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)urea
CID 110403501
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319901
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55744663
2-methyl-1-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319009
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea (CID 110894656) is 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea is CC(C)C(CNC(=O)NC1CCC(O)CC1)N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is YBVCVWYYBQAPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(2)17(21-11-5-3-4-6-12-21)13-19-18(23)20-15-7-9-16(22)10-8-15/h14-17,22H,3-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea?
1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 325.50 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110894656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).