N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide

C16H25N3O2 — CID 43592490

IUPACN-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCC1(C)CN(CCC(=O)Nc2ccc(CN)cc2)CCO1
InChIInChI=1S/C16H25N3O2/c1-16(2)12-19(9-10-21-16)8-7-15(20)18-14-5-3-13(11-17)4-6-14/h3-6H,7-12,17H2,1-2H3,(H,18,20)
InChIKeyFLLBJYUGORKPTK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide

N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide (PubChem CID 43592490) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
PubChem CID43592490
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCC1(C)CN(CCC(=O)Nc2ccc(CN)cc2)CCO1
InChIInChI=1S/C16H25N3O2/c1-16(2)12-19(9-10-21-16)8-7-15(20)18-14-5-3-13(11-17)4-6-14/h3-6H,7-12,17H2,1-2H3,(H,18,20)
InChIKeyFLLBJYUGORKPTK-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592491
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 21148317
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 86984169
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide (CID 43592490) is N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide is CC1(C)CN(CCC(=O)Nc2ccc(CN)cc2)CCO1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The InChIKey is FLLBJYUGORKPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2)12-19(9-10-21-16)8-7-15(20)18-14-5-3-13(11-17)4-6-14/h3-6H,7-12,17H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43592490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).