N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide

C25H34N2O2 — CID 132704474

IUPACN-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C25H34N2O2/c1-6-7-13-26-25(29)21(5)27(17-22-10-8-9-18(2)14-22)24(28)16-23-15-19(3)11-12-20(23)4/h8-12,14-15,21H,6-7,13,16-17H2,1-5H3,(H,26,29)
InChIKeyMQVAHGSSHJARJU-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.49
Rot. Bonds9

About N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide

N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide (PubChem CID 132704474) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
PubChem CID132704474
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C25H34N2O2/c1-6-7-13-26-25(29)21(5)27(17-22-10-8-9-18(2)14-22)24(28)16-23-15-19(3)11-12-20(23)4/h8-12,14-15,21H,6-7,13,16-17H2,1-5H3,(H,26,29)
InChIKeyMQVAHGSSHJARJU-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132704387
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100557922
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132704874
N-butyl-2-[(3-methylphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]propanamide
CID 132707675
2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132654822
2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propylpropanamide
CID 132670462
N-butyl-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132702900
N-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132707100
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132712859
2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132654863
N-butyl-2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132986732
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666494

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide (CID 132704474) is N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The InChIKey is MQVAHGSSHJARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-6-7-13-26-25(29)21(5)27(17-22-10-8-9-18(2)14-22)24(28)16-23-15-19(3)11-12-20(23)4/h8-12,14-15,21H,6-7,13,16-17H2,1-5H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide has a molecular weight of 394.56 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132704474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).