N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide

C14H22N2O2 — CID 43127345

IUPACN-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(OC(C)(C)C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-10(18-14(2,3)4)13(17)16-12-8-6-5-7-11(12)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyDPIBMODJLQAYIP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide

N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 43127345) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID43127345
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(OC(C)(C)C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-10(18-14(2,3)4)13(17)16-12-8-6-5-7-11(12)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyDPIBMODJLQAYIP-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide (CID 43127345) is N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide is CC(OC(C)(C)C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is DPIBMODJLQAYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(18-14(2,3)4)13(17)16-12-8-6-5-7-11(12)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide?
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 43127345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).