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

C16H25N3O2 — CID 43592491

IUPACN-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCC1(C)CN(CCC(=O)Nc2cccc(CN)c2)CCO1
InChIInChI=1S/C16H25N3O2/c1-16(2)12-19(8-9-21-16)7-6-15(20)18-14-5-3-4-13(10-14)11-17/h3-5,10H,6-9,11-12,17H2,1-2H3,(H,18,20)
InChIKeyCCSPIFGVQDSLME-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds5

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

N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide (PubChem CID 43592491) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
PubChem CID43592491
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCC1(C)CN(CCC(=O)Nc2cccc(CN)c2)CCO1
InChIInChI=1S/C16H25N3O2/c1-16(2)12-19(8-9-21-16)7-6-15(20)18-14-5-3-4-13(10-14)11-17/h3-5,10H,6-9,11-12,17H2,1-2H3,(H,18,20)
InChIKeyCCSPIFGVQDSLME-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-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592490
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 21148317
N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide
CID 63215911
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 110925915
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91831123
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide (CID 43592491) is N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide is CC1(C)CN(CCC(=O)Nc2cccc(CN)c2)CCO1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The InChIKey is CCSPIFGVQDSLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2)12-19(8-9-21-16)7-6-15(20)18-14-5-3-4-13(10-14)11-17/h3-5,10H,6-9,11-12,17H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide?
N-[3-(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-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43592491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).