N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide

C23H30N2O4 — CID 132660873

IUPACN-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C23H30N2O4/c1-5-21(23(27)24-6-2)25(15-18-10-8-11-19(14-18)28-4)22(26)16-29-20-12-7-9-17(3)13-20/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyKRVOGYMFGAUEMS-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.33
Rot. Bonds10

About N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide

N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide (PubChem CID 132660873) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide
PubChem CID132660873
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C23H30N2O4/c1-5-21(23(27)24-6-2)25(15-18-10-8-11-19(14-18)28-4)22(26)16-29-20-12-7-9-17(3)13-20/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyKRVOGYMFGAUEMS-UHFFFAOYSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 100502264
N-ethyl-2-[[2-(3-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132657591
(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100625087
N-ethyl-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132612194
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 132710477
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661948
N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132670146
2-[[2-(3,4-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132660808
2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132714114
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132614086
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 100501035
N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 132660532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide (CID 132660873) is N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide is CCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide?
The InChIKey is KRVOGYMFGAUEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-21(23(27)24-6-2)25(15-18-10-8-11-19(14-18)28-4)22(26)16-29-20-12-7-9-17(3)13-20/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27).
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide?
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide has a molecular weight of 398.50 g/mol, XLogP of 3.33, 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-(3-methylphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 132660873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).