2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide

C14H22N4O3 — CID 61487456

IUPAC2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
SMILESCOCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N4O3/c1-21-7-6-17-14(20)10-18(9-13(16)19)8-11-2-4-12(15)5-3-11/h2-5H,6-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyWITOATYDXXCNNR-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.68
Rot. Bonds9

About 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide

2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide (PubChem CID 61487456) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
PubChem CID61487456
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
SMILESCOCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N4O3/c1-21-7-6-17-14(20)10-18(9-13(16)19)8-11-2-4-12(15)5-3-11/h2-5H,6-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyWITOATYDXXCNNR-UHFFFAOYSA-N
XLogP-0.68
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
CID 61487336
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
CID 61485337
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide (CID 61487456) is 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide is COCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is WITOATYDXXCNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-21-7-6-17-14(20)10-18(9-13(16)19)8-11-2-4-12(15)5-3-11/h2-5H,6-10,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide?
2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 294.36 g/mol, XLogP of -0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 61487456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).