N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide

C14H22N2O2 — CID 82710844

IUPACN-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NOCC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)9-18-16-11(3)13-6-5-7-14(8-13)15-12(4)17/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)
InChIKeyXIYZPCKWHSUDJL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.88
Rot. Bonds6

About N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide

N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide (PubChem CID 82710844) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide
PubChem CID82710844
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NOCC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)9-18-16-11(3)13-6-5-7-14(8-13)15-12(4)17/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)
InChIKeyXIYZPCKWHSUDJL-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
CID 65047227
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
CID 94060411
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide (CID 82710844) is N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NOCC(C)C)c1.
What is the InChIKey of N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide?
The InChIKey is XIYZPCKWHSUDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)9-18-16-11(3)13-6-5-7-14(8-13)15-12(4)17/h5-8,10-11,16H,9H2,1-4H3,(H,15,17).
What are the key properties of N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide?
N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 82710844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).