N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide

C14H28N2O2 — CID 102636333

IUPACN-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
SMILESCCCCNC(=O)C(C)N(C)C1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-4-5-10-15-14(18)11(2)16(3)12-8-6-7-9-13(12)17/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyLQHSEQZQTYMZQK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds6

About N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide

N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide (PubChem CID 102636333) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
PubChem CID102636333
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
SMILESCCCCNC(=O)C(C)N(C)C1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-4-5-10-15-14(18)11(2)16(3)12-8-6-7-9-13(12)17/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyLQHSEQZQTYMZQK-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide?
The IUPAC name of N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide (CID 102636333) is N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide.
What is the SMILES notation for N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide?
The canonical SMILES for N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide is CCCCNC(=O)C(C)N(C)C1CCCCC1O.
What is the InChIKey of N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide?
The InChIKey is LQHSEQZQTYMZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-10-15-14(18)11(2)16(3)12-8-6-7-9-13(12)17/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide?
N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide is sourced from PubChem (CID 102636333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).