2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide

C16H25N3O2 — CID 119878378

IUPAC2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
SMILESCC(c1ccc(NC(=O)C(C)(C)N)cc1)N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-10-21-11-9-19)13-4-6-14(7-5-13)18-15(20)16(2,3)17/h4-7,12H,8-11,17H2,1-3H3,(H,18,20)
InChIKeyQDKCAWPMMZBEIL-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide

2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide (PubChem CID 119878378) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
PubChem CID119878378
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
SMILESCC(c1ccc(NC(=O)C(C)(C)N)cc1)N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-10-21-11-9-19)13-4-6-14(7-5-13)18-15(20)16(2,3)17/h4-7,12H,8-11,17H2,1-3H3,(H,18,20)
InChIKeyQDKCAWPMMZBEIL-UHFFFAOYSA-N
XLogP1.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide (CID 119878378) is 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide is CC(c1ccc(NC(=O)C(C)(C)N)cc1)N1CCOCC1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide?
The InChIKey is QDKCAWPMMZBEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(19-8-10-21-11-9-19)13-4-6-14(7-5-13)18-15(20)16(2,3)17/h4-7,12H,8-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide?
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide is sourced from PubChem (CID 119878378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).