2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide

C16H25N3O2 — CID 114394898

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCOC(CN)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)13-4-3-5-14(8-13)18-16(20)11-19-6-7-21-15(9-17)10-19/h3-5,8,12,15H,6-7,9-11,17H2,1-2H3,(H,18,20)
InChIKeyXVQGKBUMVRNBER-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide

2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 114394898) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID114394898
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCOC(CN)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)13-4-3-5-14(8-13)18-16(20)11-19-6-7-21-15(9-17)10-19/h3-5,8,12,15H,6-7,9-11,17H2,1-2H3,(H,18,20)
InChIKeyXVQGKBUMVRNBER-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 134045501
2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
CID 114394940
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
CID 81490374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 114394898) is 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CN2CCOC(CN)C2)c1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is XVQGKBUMVRNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)13-4-3-5-14(8-13)18-16(20)11-19-6-7-21-15(9-17)10-19/h3-5,8,12,15H,6-7,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.41, 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-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 114394898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).