N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

C25H34N2O4 — CID 132710468

IUPACN-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1
InChIInChI=1S/C25H34N2O4/c1-5-7-16-26-25(29)19(3)27(17-21-10-12-22(30-4)13-11-21)24(28)18-31-23-14-8-20(6-2)9-15-23/h8-15,19H,5-7,16-18H2,1-4H3,(H,26,29)
InChIKeyNSEBITTZPIIAPA-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.97
Rot. Bonds12

About N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132710468) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID132710468
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1
InChIInChI=1S/C25H34N2O4/c1-5-7-16-26-25(29)19(3)27(17-21-10-12-22(30-4)13-11-21)24(28)18-31-23-14-8-20(6-2)9-15-23/h8-15,19H,5-7,16-18H2,1-4H3,(H,26,29)
InChIKeyNSEBITTZPIIAPA-UHFFFAOYSA-N
XLogP3.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
N-butyl-2-[[2-(4-iodophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132732321
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100529286
N-butyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132710933
(2R)-2-[[2-(4-iodophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100528759
(2S)-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100528063
N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 132720298
(2R)-2-[(3-bromophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butylpropanamide
CID 100565293
(2S)-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100527463
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132658337
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide
CID 132706995
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213563

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (CID 132710468) is N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1.
What is the InChIKey of N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is NSEBITTZPIIAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-5-7-16-26-25(29)19(3)27(17-21-10-12-22(30-4)13-11-21)24(28)18-31-23-14-8-20(6-2)9-15-23/h8-15,19H,5-7,16-18H2,1-4H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 426.56 g/mol, XLogP of 3.97, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132710468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).