N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide

C14H21N3O2 — CID 110483704

IUPACN-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
SMILESNc1cccc(CNC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O2/c15-13-3-1-2-12(10-13)11-16-14(18)4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11,15H2,(H,16,18)
InChIKeyCXUFYLHWLCVSHW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.61
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide

N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide (PubChem CID 110483704) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
PubChem CID110483704
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
SMILESNc1cccc(CNC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O2/c15-13-3-1-2-12(10-13)11-16-14(18)4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11,15H2,(H,16,18)
InChIKeyCXUFYLHWLCVSHW-UHFFFAOYSA-N
XLogP0.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 110483735
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
3-morpholin-4-yl-N-[3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide;dihydrochloride
CID 119849221
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide (CID 110483704) is N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide is Nc1cccc(CNC(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide?
The InChIKey is CXUFYLHWLCVSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13-3-1-2-12(10-13)11-16-14(18)4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11,15H2,(H,16,18).
What are the key properties of N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide?
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 110483704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).