N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide

C11H17N3O2 — CID 143712419

IUPACN-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)cc(CNCCO)c1
InChIInChI=1S/C11H17N3O2/c1-8(16)14-11-5-9(4-10(12)6-11)7-13-2-3-15/h4-6,13,15H,2-3,7,12H2,1H3,(H,14,16)
InChIKeyDOWTVLUYIRMZKY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.31
Rot. Bonds5

About N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide

N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide (PubChem CID 143712419) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide
PubChem CID143712419
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)cc(CNCCO)c1
InChIInChI=1S/C11H17N3O2/c1-8(16)14-11-5-9(4-10(12)6-11)7-13-2-3-15/h4-6,13,15H,2-3,7,12H2,1H3,(H,14,16)
InChIKeyDOWTVLUYIRMZKY-UHFFFAOYSA-N
XLogP0.31
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.31
H-Bond Donors ≤ 54
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

N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide
CID 67081001
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358506
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-acetamido-N-methyl-5-(methylaminomethyl)benzamide
CID 59821039
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide (CID 143712419) is N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide is CC(=O)Nc1cc(N)cc(CNCCO)c1.
What is the InChIKey of N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide?
The InChIKey is DOWTVLUYIRMZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(16)14-11-5-9(4-10(12)6-11)7-13-2-3-15/h4-6,13,15H,2-3,7,12H2,1H3,(H,14,16).
What are the key properties of N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide?
N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-[(2-hydroxyethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 143712419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).