N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide

C28H34N2O3 — CID 132715904

IUPACN-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C28H34N2O3/c1-3-5-19-29-28(32)25(4-2)30(20-18-22-12-7-6-8-13-22)27(31)21-33-26-17-11-15-23-14-9-10-16-24(23)26/h6-17,25H,3-5,18-21H2,1-2H3,(H,29,32)
InChIKeyUHXPZVXMMNUFBI-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.98
Rot. Bonds12

About N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide

N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide (PubChem CID 132715904) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide
PubChem CID132715904
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C28H34N2O3/c1-3-5-19-29-28(32)25(4-2)30(20-18-22-12-7-6-8-13-22)27(31)21-33-26-17-11-15-23-14-9-10-16-24(23)26/h6-17,25H,3-5,18-21H2,1-2H3,(H,29,32)
InChIKeyUHXPZVXMMNUFBI-UHFFFAOYSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132709956
N-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132715907
N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132731775
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-butylbutanamide
CID 132728321
2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132667474
N-butyl-2-[(2-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 133152979
(2R)-2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbutanamide
CID 100732305
(2S)-2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbutanamide
CID 100732293
N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 133204413
N-butyl-2-[(3-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 133258903
2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132662254
(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 100637571

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide (CID 132715904) is N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide is CCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide?
The InChIKey is UHXPZVXMMNUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-3-5-19-29-28(32)25(4-2)30(20-18-22-12-7-6-8-13-22)27(31)21-33-26-17-11-15-23-14-9-10-16-24(23)26/h6-17,25H,3-5,18-21H2,1-2H3,(H,29,32).
What are the key properties of N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide?
N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide has a molecular weight of 446.59 g/mol, XLogP of 4.98, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132715904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).