2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide

C25H28N2O2 — CID 18291286

IUPAC2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CN(Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C25H28N2O2/c1-3-16-29-24-15-8-7-14-23(24)26-25(28)19-27(18-21-11-5-4-6-12-21)22-13-9-10-20(2)17-22/h4-15,17H,3,16,18-19H2,1-2H3,(H,26,28)
InChIKeyQTXCYHMSZQKBFA-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.43
Rot. Bonds9

About 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide

2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide (PubChem CID 18291286) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide
PubChem CID18291286
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CN(Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C25H28N2O2/c1-3-16-29-24-15-8-7-14-23(24)26-25(28)19-27(18-21-11-5-4-6-12-21)22-13-9-10-20(2)17-22/h4-15,17H,3,16,18-19H2,1-2H3,(H,26,28)
InChIKeyQTXCYHMSZQKBFA-UHFFFAOYSA-N
XLogP5.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18145118
2-(3-aminophenyl)-N-(2-propoxyphenyl)acetamide
CID 65350525
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
2-(3-methylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131381
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
CID 47078032
2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
CID 109010688

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide (CID 18291286) is 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)CN(Cc1ccccc1)c1cccc(C)c1.
What is the InChIKey of 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide?
The InChIKey is QTXCYHMSZQKBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-16-29-24-15-8-7-14-23(24)26-25(28)19-27(18-21-11-5-4-6-12-21)22-13-9-10-20(2)17-22/h4-15,17H,3,16,18-19H2,1-2H3,(H,26,28).
What are the key properties of 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide?
2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 18291286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).