N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide

C16H24N2O2 — CID 62907547

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)N(C(=O)C1CCOCC1)c1ccc(CN)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)18(15-5-3-13(11-17)4-6-15)16(19)14-7-9-20-10-8-14/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyREALGQMLNRZAAC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide

N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide (PubChem CID 62907547) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
PubChem CID62907547
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)N(C(=O)C1CCOCC1)c1ccc(CN)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)18(15-5-3-13(11-17)4-6-15)16(19)14-7-9-20-10-8-14/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyREALGQMLNRZAAC-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide (CID 62907547) is N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide is CC(C)N(C(=O)C1CCOCC1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide?
The InChIKey is REALGQMLNRZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)18(15-5-3-13(11-17)4-6-15)16(19)14-7-9-20-10-8-14/h3-6,12,14H,7-11,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.31, 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]-N-propan-2-yloxane-4-carboxamide is sourced from PubChem (CID 62907547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).