2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide

C15H30N2O3 — CID 102636534

IUPAC2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(C)C1CCCCC1O
InChIInChI=1S/C15H30N2O3/c1-12(2)20-10-6-9-16-15(19)11-17(3)13-7-4-5-8-14(13)18/h12-14,18H,4-11H2,1-3H3,(H,16,19)
InChIKeyACWQKUCBDLALQX-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.15
Rot. Bonds8

About 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide

2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 102636534) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID102636534
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(C)C1CCCCC1O
InChIInChI=1S/C15H30N2O3/c1-12(2)20-10-6-9-16-15(19)11-17(3)13-7-4-5-8-14(13)18/h12-14,18H,4-11H2,1-3H3,(H,16,19)
InChIKeyACWQKUCBDLALQX-UHFFFAOYSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide (CID 102636534) is 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(C)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ACWQKUCBDLALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)20-10-6-9-16-15(19)11-17(3)13-7-4-5-8-14(13)18/h12-14,18H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 102636534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).