[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide

C15H24N2O3 — CID 176717453

IUPAC[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
SMILESCC(C)C(=O)OCc1ccc(CN)cc1.CCC(N)=O
InChIInChI=1S/C12H17NO2.C3H7NO/c1-9(2)12(14)15-8-11-5-3-10(7-13)4-6-11;1-2-3(4)5/h3-6,9H,7-8,13H2,1-2H3;2H2,1H3,(H2,4,5)
InChIKeyLEGMNYBXSVGDEP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.73
Rot. Bonds5

About [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide

[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide (PubChem CID 176717453) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
PubChem CID176717453
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
SMILESCC(C)C(=O)OCc1ccc(CN)cc1.CCC(N)=O
InChIInChI=1S/C12H17NO2.C3H7NO/c1-9(2)12(14)15-8-11-5-3-10(7-13)4-6-11;1-2-3(4)5/h3-6,9H,7-8,13H2,1-2H3;2H2,1H3,(H2,4,5)
InChIKeyLEGMNYBXSVGDEP-UHFFFAOYSA-N
XLogP1.73
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
[4-(2-aminoethoxycarbonylamino)phenyl]methyl 2-methylpropanoate;ethane;molecular hydrogen
CID 144997523
[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate
CID 157135527
(4-chlorophenyl)methyl (2S)-2-amino-3-methylpentanoate
CID 65127089
[4-(1,3,2-benzodioxaborol-2-yl)phenyl]methyl 2-methylpropanoate
CID 67991281
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
[4-(aminomethyl)phenyl] propanoate
CID 23063742
[4-(propan-2-yloxymethyl)phenyl]methyl 2-methylbutanoate
CID 70639906

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide?
The IUPAC name of [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide (CID 176717453) is [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide.
What is the SMILES notation for [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide?
The canonical SMILES for [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide is CC(C)C(=O)OCc1ccc(CN)cc1.CCC(N)=O.
What is the InChIKey of [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide?
The InChIKey is LEGMNYBXSVGDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C3H7NO/c1-9(2)12(14)15-8-11-5-3-10(7-13)4-6-11;1-2-3(4)5/h3-6,9H,7-8,13H2,1-2H3;2H2,1H3,(H2,4,5).
What are the key properties of [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide?
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide is sourced from PubChem (CID 176717453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).