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

C11H17N3O — CID 67081001

IUPACN-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)cc(CN(C)C)c1
InChIInChI=1S/C11H17N3O/c1-8(15)13-11-5-9(7-14(2)3)4-10(12)6-11/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyHLWIOZVHSUQAJQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.29
Rot. Bonds3

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

N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide (PubChem CID 67081001) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide
PubChem CID67081001
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)cc(CN(C)C)c1
InChIInChI=1S/C11H17N3O/c1-8(15)13-11-5-9(7-14(2)3)4-10(12)6-11/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyHLWIOZVHSUQAJQ-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide (CID 67081001) is N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide is CC(=O)Nc1cc(N)cc(CN(C)C)c1.
What is the InChIKey of N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide?
The InChIKey is HLWIOZVHSUQAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(15)13-11-5-9(7-14(2)3)4-10(12)6-11/h4-6H,7,12H2,1-3H3,(H,13,15).
What are the key properties of N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide?
N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide has a molecular weight of 207.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 67081001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).