N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide

C27H32N2O3 — CID 132712132

IUPACN-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
SMILESCc1cccc(CN(C(=O)COc2cccc3ccccc23)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C27H32N2O3/c1-19-10-8-11-21(16-19)17-29(20(2)26(31)28-27(3,4)5)25(30)18-32-24-15-9-13-22-12-6-7-14-23(22)24/h6-16,20H,17-18H2,1-5H3,(H,28,31)
InChIKeyASZNYZFUYXYPNC-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.86
Rot. Bonds7

About N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide

N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide (PubChem CID 132712132) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
PubChem CID132712132
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
SMILESCc1cccc(CN(C(=O)COc2cccc3ccccc23)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C27H32N2O3/c1-19-10-8-11-21(16-19)17-29(20(2)26(31)28-27(3,4)5)25(30)18-32-24-15-9-13-22-12-6-7-14-23(22)24/h6-16,20H,17-18H2,1-5H3,(H,28,31)
InChIKeyASZNYZFUYXYPNC-UHFFFAOYSA-N
XLogP4.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132705523
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146027
(2R)-2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 100729424
N-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132715907
N-tert-butyl-2-[(3-methylphenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]propanamide
CID 132728293
N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132615744
2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132662254
2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132654004
N-ethyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132655254
2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132617171
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 132703128

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide (CID 132712132) is N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide is Cc1cccc(CN(C(=O)COc2cccc3ccccc23)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The InChIKey is ASZNYZFUYXYPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-19-10-8-11-21(16-19)17-29(20(2)26(31)28-27(3,4)5)25(30)18-32-24-15-9-13-22-12-6-7-14-23(22)24/h6-16,20H,17-18H2,1-5H3,(H,28,31).
What are the key properties of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide has a molecular weight of 432.56 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide is sourced from PubChem (CID 132712132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).