N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide

C14H22N4O2 — CID 166477495

IUPACN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide
SMILESCC(=O)Nc1cc(N)ccc1N(CCN(C)C)C(C)=O
InChIInChI=1S/C14H22N4O2/c1-10(19)16-13-9-12(15)5-6-14(13)18(11(2)20)8-7-17(3)4/h5-6,9H,7-8,15H2,1-4H3,(H,16,19)
InChIKeyHXCXUSFQMBNHER-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds5

About N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide

N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide (PubChem CID 166477495) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide
PubChem CID166477495
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide
SMILESCC(=O)Nc1cc(N)ccc1N(CCN(C)C)C(C)=O
InChIInChI=1S/C14H22N4O2/c1-10(19)16-13-9-12(15)5-6-14(13)18(11(2)20)8-7-17(3)4/h5-6,9H,7-8,15H2,1-4H3,(H,16,19)
InChIKeyHXCXUSFQMBNHER-UHFFFAOYSA-N
XLogP1.14
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide?
The IUPAC name of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide (CID 166477495) is N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide?
The canonical SMILES for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide is CC(=O)Nc1cc(N)ccc1N(CCN(C)C)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide?
The InChIKey is HXCXUSFQMBNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(19)16-13-9-12(15)5-6-14(13)18(11(2)20)8-7-17(3)4/h5-6,9H,7-8,15H2,1-4H3,(H,16,19).
What are the key properties of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide?
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide is sourced from PubChem (CID 166477495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).