3-(4-aminophenyl)-N-morpholin-4-ylbutanamide

C14H21N3O2 — CID 104502944

IUPAC3-(4-aminophenyl)-N-morpholin-4-ylbutanamide
SMILESCC(CC(=O)NN1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-11(12-2-4-13(15)5-3-12)10-14(18)16-17-6-8-19-9-7-17/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyPOJPJBMTGAQZMJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds4

About 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide

3-(4-aminophenyl)-N-morpholin-4-ylbutanamide (PubChem CID 104502944) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-morpholin-4-ylbutanamide
PubChem CID104502944
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(4-aminophenyl)-N-morpholin-4-ylbutanamide
SMILESCC(CC(=O)NN1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-11(12-2-4-13(15)5-3-12)10-14(18)16-17-6-8-19-9-7-17/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyPOJPJBMTGAQZMJ-UHFFFAOYSA-N
XLogP1.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
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

3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
CID 83013202
3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 104502977
3-[3-(4-aminophenyl)butanoylamino]oxolane-3-carboxylic acid
CID 104502718
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
2-[3-(4-aminophenyl)butanoylamino]-3-hydroxybutanoic acid
CID 104502367
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
N-morpholin-4-yl-2-(propan-2-ylamino)acetamide
CID 83016590
3-(4-aminophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106026170
2-[3-(4-aminophenyl)butanoylamino]butanedioic acid
CID 104502890
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide (CID 104502944) is 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide is CC(CC(=O)NN1CCOCC1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide?
The InChIKey is POJPJBMTGAQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(12-2-4-13(15)5-3-12)10-14(18)16-17-6-8-19-9-7-17/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide?
3-(4-aminophenyl)-N-morpholin-4-ylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-morpholin-4-ylbutanamide is sourced from PubChem (CID 104502944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).