N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

C27H31ClN2O3 — CID 132721568

IUPACN-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O3/c1-5-23(26(32)29-27(2,3)4)30(17-19-13-15-21(28)16-14-19)25(31)18-33-24-12-8-10-20-9-6-7-11-22(20)24/h6-16,23H,5,17-18H2,1-4H3,(H,29,32)
InChIKeyBESWUABFJOAREA-UHFFFAOYSA-N
MW467.01 g/mol
LogP5.59
Rot. Bonds8

About N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (PubChem CID 132721568) has the molecular formula C27H31ClN2O3 and a molecular weight of 467.01 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
PubChem CID132721568
Molecular FormulaC27H31ClN2O3
Molecular Weight467.01 g/mol
Exact Mass466.20
IUPAC NameN-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O3/c1-5-23(26(32)29-27(2,3)4)30(17-19-13-15-21(28)16-14-19)25(31)18-33-24-12-8-10-20-9-6-7-11-22(20)24/h6-16,23H,5,17-18H2,1-4H3,(H,29,32)
InChIKeyBESWUABFJOAREA-UHFFFAOYSA-N
XLogP5.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylbutanamide
CID 100560742
2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenyl-N-propylpropanamide
CID 132621350
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132616960
(2S)-2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbutanamide
CID 100732293
(2R)-2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbutanamide
CID 100732305
(2R)-2-[(2,4-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylbutanamide
CID 100588153
(2R)-2-[(2,6-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylbutanamide
CID 100602033
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132720248
N-cyclopentyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132613892
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]butanamide
CID 132711821
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 132708889
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100576885

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (CID 132721568) is N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The InChIKey is BESWUABFJOAREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O3/c1-5-23(26(32)29-27(2,3)4)30(17-19-13-15-21(28)16-14-19)25(31)18-33-24-12-8-10-20-9-6-7-11-22(20)24/h6-16,23H,5,17-18H2,1-4H3,(H,29,32).
What are the key properties of N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide has a molecular weight of 467.01 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is sourced from PubChem (CID 132721568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).