3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide

C19H31N3O2 — CID 82027775

IUPAC3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide
SMILESCCN(C(=O)CCc1ccc(N2CCOCC2)c(N)c1)C(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-5-22(19(2,3)4)18(23)9-7-15-6-8-17(16(20)14-15)21-10-12-24-13-11-21/h6,8,14H,5,7,9-13,20H2,1-4H3
InChIKeyXFXWSGPHEBAUCW-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.68
Rot. Bonds5

About 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide

3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide (PubChem CID 82027775) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide
PubChem CID82027775
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide
SMILESCCN(C(=O)CCc1ccc(N2CCOCC2)c(N)c1)C(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-5-22(19(2,3)4)18(23)9-7-15-6-8-17(16(20)14-15)21-10-12-24-13-11-21/h6,8,14H,5,7,9-13,20H2,1-4H3
InChIKeyXFXWSGPHEBAUCW-UHFFFAOYSA-N
XLogP2.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
CID 82027779
3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
CID 82027749
3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
CID 39112930
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
CID 39407103
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 39131226
4-[3-[tert-butyl(ethyl)amino]-3-oxopropyl]benzoic acid
CID 82071551
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide?
The IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide (CID 82027775) is 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide.
What is the SMILES notation for 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide?
The canonical SMILES for 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide is CCN(C(=O)CCc1ccc(N2CCOCC2)c(N)c1)C(C)(C)C.
What is the InChIKey of 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide?
The InChIKey is XFXWSGPHEBAUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-22(19(2,3)4)18(23)9-7-15-6-8-17(16(20)14-15)21-10-12-24-13-11-21/h6,8,14H,5,7,9-13,20H2,1-4H3.
What are the key properties of 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide?
3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide is sourced from PubChem (CID 82027775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).