2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide

C21H29N3O2 — CID 19797599

IUPAC2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
SMILESCc1ccc(CCCNC(=O)Cc2ccc(OCCN)c(N)c2)cc1C
InChIInChI=1S/C21H29N3O2/c1-15-5-6-17(12-16(15)2)4-3-10-24-21(25)14-18-7-8-20(19(23)13-18)26-11-9-22/h5-8,12-13H,3-4,9-11,14,22-23H2,1-2H3,(H,24,25)
InChIKeyVTAHSBJBRPKBIR-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.51
Rot. Bonds9

About 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide

2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide (PubChem CID 19797599) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
PubChem CID19797599
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
SMILESCc1ccc(CCCNC(=O)Cc2ccc(OCCN)c(N)c2)cc1C
InChIInChI=1S/C21H29N3O2/c1-15-5-6-17(12-16(15)2)4-3-10-24-21(25)14-18-7-8-20(19(23)13-18)26-11-9-22/h5-8,12-13H,3-4,9-11,14,22-23H2,1-2H3,(H,24,25)
InChIKeyVTAHSBJBRPKBIR-UHFFFAOYSA-N
XLogP2.51
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide
CID 19797607
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
2-[4-(2-aminoethoxy)-3-nitrophenyl]-N-[3-(3,5-dimethylphenyl)propyl]acetamide
CID 19797631
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
ethyl 3-amino-3-[4-[2-[3-(3,4-dimethylphenyl)propylamino]-2-oxoethyl]-2-methoxyphenoxy]propanoate
CID 69330570
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane
CID 22909771
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide
CID 54357280
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide (CID 19797599) is 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide is Cc1ccc(CCCNC(=O)Cc2ccc(OCCN)c(N)c2)cc1C.
What is the InChIKey of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
The InChIKey is VTAHSBJBRPKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-5-6-17(12-16(15)2)4-3-10-24-21(25)14-18-7-8-20(19(23)13-18)26-11-9-22/h5-8,12-13H,3-4,9-11,14,22-23H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 19797599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).