N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide

C15H22N2O3 — CID 62797625

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
SMILESCC(C)N(C(=O)C1COCCO1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)17(13-5-3-12(9-16)4-6-13)15(18)14-10-19-7-8-20-14/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyZCJWMWIYTBUFKM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.30
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide

N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide (PubChem CID 62797625) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
PubChem CID62797625
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
SMILESCC(C)N(C(=O)C1COCCO1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)17(13-5-3-12(9-16)4-6-13)15(18)14-10-19-7-8-20-14/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyZCJWMWIYTBUFKM-UHFFFAOYSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide (CID 62797625) is N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide is CC(C)N(C(=O)C1COCCO1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide?
The InChIKey is ZCJWMWIYTBUFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)17(13-5-3-12(9-16)4-6-13)15(18)14-10-19-7-8-20-14/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 62797625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).