4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide

C16H30N2O2 — CID 120589287

IUPAC4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide
SMILESCCC1CCC(N(C(=O)CC(CN)OC)C2CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-12-4-6-13(7-5-12)18(14-8-9-14)16(19)10-15(11-17)20-2/h12-15H,3-11,17H2,1-2H3
InChIKeyAGRXXKQWTCQUHO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds7

About 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide

4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide (PubChem CID 120589287) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide
PubChem CID120589287
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide
SMILESCCC1CCC(N(C(=O)CC(CN)OC)C2CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-12-4-6-13(7-5-12)18(14-8-9-14)16(19)10-15(11-17)20-2/h12-15H,3-11,17H2,1-2H3
InChIKeyAGRXXKQWTCQUHO-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide (CID 120589287) is 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide is CCC1CCC(N(C(=O)CC(CN)OC)C2CC2)CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide?
The InChIKey is AGRXXKQWTCQUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-12-4-6-13(7-5-12)18(14-8-9-14)16(19)10-15(11-17)20-2/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide?
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide is sourced from PubChem (CID 120589287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).