N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide

C16H25N3O2 — CID 71933821

IUPACN,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1ccccc1N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-18(2)16(20)7-8-17-13-14-5-3-4-6-15(14)19-9-11-21-12-10-19/h3-6,17H,7-13H2,1-2H3
InChIKeyXSKCKDZJZDEKRE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.09
Rot. Bonds6

About N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide

N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide (PubChem CID 71933821) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
PubChem CID71933821
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1ccccc1N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-18(2)16(20)7-8-17-13-14-5-3-4-6-15(14)19-9-11-21-12-10-19/h3-6,17H,7-13H2,1-2H3
InChIKeyXSKCKDZJZDEKRE-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 109022218
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111119117
2-cyclohexylidene-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 51096916
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide (CID 71933821) is N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide is CN(C)C(=O)CCNCc1ccccc1N1CCOCC1.
What is the InChIKey of N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide?
The InChIKey is XSKCKDZJZDEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)16(20)7-8-17-13-14-5-3-4-6-15(14)19-9-11-21-12-10-19/h3-6,17H,7-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide?
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 71933821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).