N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide

C25H34N2O3 — CID 132707050

IUPACN-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C25H34N2O3/c1-6-19(4)26-25(29)23(7-2)27(17-20-11-13-22(30-5)14-12-20)24(28)16-21-10-8-9-18(3)15-21/h8-15,19,23H,6-7,16-17H2,1-5H3,(H,26,29)
InChIKeyWFOUBTZJQARTPP-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.27
Rot. Bonds10

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

N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (PubChem CID 132707050) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
PubChem CID132707050
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C25H34N2O3/c1-6-19(4)26-25(29)23(7-2)27(17-20-11-13-22(30-5)14-12-20)24(28)16-21-10-8-9-18(3)15-21/h8-15,19,23H,6-7,16-17H2,1-5H3,(H,26,29)
InChIKeyWFOUBTZJQARTPP-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)-N-[(2R)-butan-2-yl]-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677148
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100538978
(2S)-N-[(2R)-butan-2-yl]-2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100667774
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100676751
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100676740
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 125098909
2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657637
N-butan-2-yl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132721062
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677108
2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132700582
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132655277
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100677444

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The IUPAC name of N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (CID 132707050) is N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The canonical SMILES for N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is CCC(C)NC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The InChIKey is WFOUBTZJQARTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-6-19(4)26-25(29)23(7-2)27(17-20-11-13-22(30-5)14-12-20)24(28)16-21-10-8-9-18(3)15-21/h8-15,19,23H,6-7,16-17H2,1-5H3,(H,26,29).
What are the key properties of N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide 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-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is sourced from PubChem (CID 132707050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).