N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

C25H35N3O3 — CID 142931797

IUPACN-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCCN(CCN(C)C(C)=O)c1ccc(NC(=O)Cc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C25H35N3O3/c1-6-28(16-15-27(5)20(4)29)23-11-9-22(10-12-23)26-25(30)17-21-7-13-24(14-8-21)31-18-19(2)3/h7-14,19H,6,15-18H2,1-5H3,(H,26,30)
InChIKeyIWIBTTGSXFTMQO-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.21
Rot. Bonds11

About N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 142931797) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID142931797
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCCN(CCN(C)C(C)=O)c1ccc(NC(=O)Cc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C25H35N3O3/c1-6-28(16-15-27(5)20(4)29)23-11-9-22(10-12-23)26-25(30)17-21-7-13-24(14-8-21)31-18-19(2)3/h7-14,19H,6,15-18H2,1-5H3,(H,26,30)
InChIKeyIWIBTTGSXFTMQO-UHFFFAOYSA-N
XLogP4.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[N-ethyl-4-(2-methylpropoxy)anilino]propanoic acid
CID 82318812
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 58867261
2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 119220369
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110407244
2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113159160
2-[4-(2-methylpropoxy)anilino]-2-oxoacetic acid
CID 82496954

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (CID 142931797) is N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is CCN(CCN(C)C(C)=O)c1ccc(NC(=O)Cc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is IWIBTTGSXFTMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-6-28(16-15-27(5)20(4)29)23-11-9-22(10-12-23)26-25(30)17-21-7-13-24(14-8-21)31-18-19(2)3/h7-14,19H,6,15-18H2,1-5H3,(H,26,30).
What are the key properties of N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 425.57 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 142931797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).