3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide

C21H28N2O — CID 44522011

IUPAC3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCNc1cccc2ccccc12
InChIInChI=1S/C21H28N2O/c24-21(14-13-17-7-2-1-3-8-17)23-16-15-22-20-12-6-10-18-9-4-5-11-19(18)20/h4-6,9-12,17,22H,1-3,7-8,13-16H2,(H,23,24)
InChIKeyRRKKTVRIGRQNCY-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.73
Rot. Bonds7

About 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide

3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide (PubChem CID 44522011) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide
PubChem CID44522011
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCNc1cccc2ccccc12
InChIInChI=1S/C21H28N2O/c24-21(14-13-17-7-2-1-3-8-17)23-16-15-22-20-12-6-10-18-9-4-5-11-19(18)20/h4-6,9-12,17,22H,1-3,7-8,13-16H2,(H,23,24)
InChIKeyRRKKTVRIGRQNCY-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide (CID 44522011) is 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide is O=C(CCC1CCCCC1)NCCNc1cccc2ccccc12.
What is the InChIKey of 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide?
The InChIKey is RRKKTVRIGRQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c24-21(14-13-17-7-2-1-3-8-17)23-16-15-22-20-12-6-10-18-9-4-5-11-19(18)20/h4-6,9-12,17,22H,1-3,7-8,13-16H2,(H,23,24).
What are the key properties of 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide?
3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide is sourced from PubChem (CID 44522011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).