N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide

C14H28N2O2 — CID 54900959

IUPACN-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCC1(O)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-12(2)16-13(17)7-10-15-11-14(18)8-5-4-6-9-14/h12,15,18H,3-11H2,1-2H3,(H,16,17)
InChIKeyXRMCUWDGEDCLNQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.58
Rot. Bonds7

About N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide

N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide (PubChem CID 54900959) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide
PubChem CID54900959
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCC1(O)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-12(2)16-13(17)7-10-15-11-14(18)8-5-4-6-9-14/h12,15,18H,3-11H2,1-2H3,(H,16,17)
InChIKeyXRMCUWDGEDCLNQ-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide (CID 54900959) is N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide is CCC(C)NC(=O)CCNCC1(O)CCCCC1.
What is the InChIKey of N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide?
The InChIKey is XRMCUWDGEDCLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-12(2)16-13(17)7-10-15-11-14(18)8-5-4-6-9-14/h12,15,18H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide?
N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide is sourced from PubChem (CID 54900959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).