N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide

C16H20N2O2 — CID 114818480

IUPACN-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(c2ccc(CN)cc2)C(C)C)co1
InChIInChI=1S/C16H20N2O2/c1-11(2)18(15-6-4-13(9-17)5-7-15)16(19)14-8-12(3)20-10-14/h4-8,10-11H,9,17H2,1-3H3
InChIKeyHMSBLNWCFRIHIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide

N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide (PubChem CID 114818480) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
PubChem CID114818480
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(c2ccc(CN)cc2)C(C)C)co1
InChIInChI=1S/C16H20N2O2/c1-11(2)18(15-6-4-13(9-17)5-7-15)16(19)14-8-12(3)20-10-14/h4-8,10-11H,9,17H2,1-3H3
InChIKeyHMSBLNWCFRIHIQ-UHFFFAOYSA-N
XLogP3.10
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
CID 114818479
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
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CID 103510202
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
CID 115949136
N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
CID 83146456
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide (CID 114818480) is N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide is Cc1cc(C(=O)N(c2ccc(CN)cc2)C(C)C)co1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is HMSBLNWCFRIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)18(15-6-4-13(9-17)5-7-15)16(19)14-8-12(3)20-10-14/h4-8,10-11H,9,17H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide?
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 114818480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).