N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide

C11H17N3O — CID 60887172

IUPACN-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCN)cc1
InChIInChI=1S/C11H17N3O/c1-9(15)14-11-4-2-10(3-5-11)8-13-7-6-12/h2-5,13H,6-8,12H2,1H3,(H,14,15)
InChIKeyQCFJGXXBURPQPF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.69
Rot. Bonds5

About N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide

N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide (PubChem CID 60887172) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
PubChem CID60887172
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCN)cc1
InChIInChI=1S/C11H17N3O/c1-9(15)14-11-4-2-10(3-5-11)8-13-7-6-12/h2-5,13H,6-8,12H2,1H3,(H,14,15)
InChIKeyQCFJGXXBURPQPF-UHFFFAOYSA-N
XLogP0.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 79352344
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide (CID 60887172) is N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCCN)cc1.
What is the InChIKey of N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide?
The InChIKey is QCFJGXXBURPQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(15)14-11-4-2-10(3-5-11)8-13-7-6-12/h2-5,13H,6-8,12H2,1H3,(H,14,15).
What are the key properties of N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide?
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 60887172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).