N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide

C25H34N2O3 — CID 132707034

IUPACN-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
SMILESCCc1ccc(OCC(=O)N(Cc2cccc(C)c2)C(C)C(=O)NC(C)CC)cc1
InChIInChI=1S/C25H34N2O3/c1-6-19(4)26-25(29)20(5)27(16-22-10-8-9-18(3)15-22)24(28)17-30-23-13-11-21(7-2)12-14-23/h8-15,19-20H,6-7,16-17H2,1-5H3,(H,26,29)
InChIKeyFSWHVRJWZWJYHC-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.27
Rot. Bonds10

About N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide

N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide (PubChem CID 132707034) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
PubChem CID132707034
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
SMILESCCc1ccc(OCC(=O)N(Cc2cccc(C)c2)C(C)C(=O)NC(C)CC)cc1
InChIInChI=1S/C25H34N2O3/c1-6-19(4)26-25(29)20(5)27(16-22-10-8-9-18(3)15-22)24(28)17-30-23-13-11-21(7-2)12-14-23/h8-15,19-20H,6-7,16-17H2,1-5H3,(H,26,29)
InChIKeyFSWHVRJWZWJYHC-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100537861
N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132705495
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100540343
N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132710427
2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 133226357
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549094
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549077
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-ethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100530026
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100599959
(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100655404
(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 100596896
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100538978

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide (CID 132707034) is N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide is CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)C(C)C(=O)NC(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The InChIKey is FSWHVRJWZWJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-6-19(4)26-25(29)20(5)27(16-22-10-8-9-18(3)15-22)24(28)17-30-23-13-11-21(7-2)12-14-23/h8-15,19-20H,6-7,16-17H2,1-5H3,(H,26,29).
What are the key properties of N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide has a molecular weight of 410.56 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132707034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).