N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

C26H30N2O4 — CID 132670146

IUPACN-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H30N2O4/c1-4-23(26(30)27-5-2)28(17-19-10-8-13-21(16-19)31-3)25(29)18-32-24-15-9-12-20-11-6-7-14-22(20)24/h6-16,23H,4-5,17-18H2,1-3H3,(H,27,30)
InChIKeyRHVJRRLNNRCUEB-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.17
Rot. Bonds10

About N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (PubChem CID 132670146) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
PubChem CID132670146
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H30N2O4/c1-4-23(26(30)27-5-2)28(17-19-10-8-13-21(16-19)31-3)25(29)18-32-24-15-9-12-20-11-6-7-14-22(20)24/h6-16,23H,4-5,17-18H2,1-3H3,(H,27,30)
InChIKeyRHVJRRLNNRCUEB-UHFFFAOYSA-N
XLogP4.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 100592578
(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 100521307
N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616203
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide
CID 132660873
2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132661195
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100609521
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616204
2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132680644
N-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132715907
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132720248
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-methoxyphenyl)methyl]amino]-N-tert-butylbutanamide
CID 132625363
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132736323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (CID 132670146) is N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is CCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The InChIKey is RHVJRRLNNRCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-4-23(26(30)27-5-2)28(17-19-10-8-13-21(16-19)31-3)25(29)18-32-24-15-9-12-20-11-6-7-14-22(20)24/h6-16,23H,4-5,17-18H2,1-3H3,(H,27,30).
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide has a molecular weight of 434.54 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is sourced from PubChem (CID 132670146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).