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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
N-[(4-aminophenyl)methyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
CID 62797970
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide
CID 95972706
N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
CID 83146456
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
(3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide
CID 124885777
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
CID 55048035
(2S)-2-[benzyl-[(2S)-1,4-dioxane-2-carbonyl]amino]propanoic acid
CID 129468489
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,4-dioxane-2-carboxamide
CID 95318609

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).