4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide

C22H24N2O — CID 82138931

IUPAC4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide
SMILESCCN(C(=O)CC(CN)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H24N2O/c1-2-24(19-11-4-3-5-12-19)22(25)15-18(16-23)21-14-8-10-17-9-6-7-13-20(17)21/h3-14,18H,2,15-16,23H2,1H3
InChIKeyUSPGBKUPADXQMI-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.33
Rot. Bonds6

About 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide

4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide (PubChem CID 82138931) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide
PubChem CID82138931
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide
SMILESCCN(C(=O)CC(CN)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H24N2O/c1-2-24(19-11-4-3-5-12-19)22(25)15-18(16-23)21-14-8-10-17-9-6-7-13-20(17)21/h3-14,18H,2,15-16,23H2,1H3
InChIKeyUSPGBKUPADXQMI-UHFFFAOYSA-N
XLogP4.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide?
The IUPAC name of 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide (CID 82138931) is 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide?
The canonical SMILES for 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide is CCN(C(=O)CC(CN)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide?
The InChIKey is USPGBKUPADXQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-24(19-11-4-3-5-12-19)22(25)15-18(16-23)21-14-8-10-17-9-6-7-13-20(17)21/h3-14,18H,2,15-16,23H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide?
4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide has a molecular weight of 332.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide is sourced from PubChem (CID 82138931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).