N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide

C13H20N2O2 — CID 82710042

IUPACN-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNOCC(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)9-17-14-8-12-6-4-5-7-13(12)15-11(3)16/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyGGKCZXJDSFPCHR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.32
Rot. Bonds6

About N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide

N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide (PubChem CID 82710042) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide
PubChem CID82710042
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNOCC(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)9-17-14-8-12-6-4-5-7-13(12)15-11(3)16/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyGGKCZXJDSFPCHR-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
CID 66419443
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide
CID 115409697
N-(2-methylpropoxy)-2-phenoxypropanamide
CID 113304383
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide
CID 79548465
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide (CID 82710042) is N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNOCC(C)C.
What is the InChIKey of N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide?
The InChIKey is GGKCZXJDSFPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)9-17-14-8-12-6-4-5-7-13(12)15-11(3)16/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide?
N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide is sourced from PubChem (CID 82710042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).