N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide

C22H30N4O3 — CID 18087872

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H30N4O3/c1-5-26(16-22(28)24-18-8-12-20(29-4)13-9-18)15-21(27)23-14-17-6-10-19(11-7-17)25(2)3/h6-13H,5,14-16H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyXKPODZMIEUBVHC-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.34
Rot. Bonds10

About N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide (PubChem CID 18087872) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
PubChem CID18087872
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H30N4O3/c1-5-26(16-22(28)24-18-8-12-20(29-4)13-9-18)15-21(27)23-14-17-6-10-19(11-7-17)25(2)3/h6-13H,5,14-16H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyXKPODZMIEUBVHC-UHFFFAOYSA-N
XLogP2.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
methyl 4-[[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]methyl]benzoate
CID 9026172
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53278903

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide (CID 18087872) is N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide is CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is XKPODZMIEUBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-5-26(16-22(28)24-18-8-12-20(29-4)13-9-18)15-21(27)23-14-17-6-10-19(11-7-17)25(2)3/h6-13H,5,14-16H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 18087872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).