3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide

C17H31N3O2 — CID 146787707

IUPAC3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide
SMILESNCCC(=O)NC1CCC(CC(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C17H31N3O2/c18-10-9-17(22)20-15-7-1-12(2-8-15)11-16(21)13-3-5-14(19)6-4-13/h12-15H,1-11,18-19H2,(H,20,22)
InChIKeyRVEXWLYTTUFPDZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.49
Rot. Bonds6

About 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide

3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide (PubChem CID 146787707) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide
PubChem CID146787707
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide
SMILESNCCC(=O)NC1CCC(CC(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C17H31N3O2/c18-10-9-17(22)20-15-7-1-12(2-8-15)11-16(21)13-3-5-14(19)6-4-13/h12-15H,1-11,18-19H2,(H,20,22)
InChIKeyRVEXWLYTTUFPDZ-UHFFFAOYSA-N
XLogP1.49
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide?
The IUPAC name of 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide (CID 146787707) is 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide is NCCC(=O)NC1CCC(CC(=O)C2CCC(N)CC2)CC1.
What is the InChIKey of 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide?
The InChIKey is RVEXWLYTTUFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c18-10-9-17(22)20-15-7-1-12(2-8-15)11-16(21)13-3-5-14(19)6-4-13/h12-15H,1-11,18-19H2,(H,20,22).
What are the key properties of 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide?
3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide has a molecular weight of 309.45 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide is sourced from PubChem (CID 146787707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).