2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide

C15H23N3O2 — CID 114395245

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCOC(CN)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-12-2-4-13(5-3-12)9-17-15(19)11-18-6-7-20-14(8-16)10-18/h2-5,14H,6-11,16H2,1H3,(H,17,19)
InChIKeyPMIBKYJKSCZTTJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.27
Rot. Bonds5

About 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 114395245) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID114395245
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCOC(CN)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-12-2-4-13(5-3-12)9-17-15(19)11-18-6-7-20-14(8-16)10-18/h2-5,14H,6-11,16H2,1H3,(H,17,19)
InChIKeyPMIBKYJKSCZTTJ-UHFFFAOYSA-N
XLogP0.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
CID 163352376
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95554541
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide
CID 131054195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 114395245) is 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCOC(CN)C2)cc1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PMIBKYJKSCZTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-2-4-13(5-3-12)9-17-15(19)11-18-6-7-20-14(8-16)10-18/h2-5,14H,6-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 114395245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).