2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide

C23H31N3O2 — CID 112800275

IUPAC2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-14-26(16-22(27)24-21-9-7-6-8-19(21)3)23(28)17-25(4)15-20-12-10-18(2)11-13-20/h6-13H,5,14-17H2,1-4H3,(H,24,27)
InChIKeyBADHSMFWUKEYGW-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.61
Rot. Bonds9

About 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 112800275) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID112800275
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-14-26(16-22(27)24-21-9-7-6-8-19(21)3)23(28)17-25(4)15-20-12-10-18(2)11-13-20/h6-13H,5,14-17H2,1-4H3,(H,24,27)
InChIKeyBADHSMFWUKEYGW-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 38688648
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125001
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
CID 8810074
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
CID 62012599
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
2-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 25161690
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 112800275) is 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CN(C)Cc1ccc(C)cc1.
What is the InChIKey of 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is BADHSMFWUKEYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-14-26(16-22(27)24-21-9-7-6-8-19(21)3)23(28)17-25(4)15-20-12-10-18(2)11-13-20/h6-13H,5,14-17H2,1-4H3,(H,24,27).
What are the key properties of 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 112800275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).