3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide

C18H29N3O2 — CID 39112930

IUPAC3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C18H29N3O2/c1-2-3-4-9-20-18(22)8-6-15-5-7-17(16(19)14-15)21-10-12-23-13-11-21/h5,7,14H,2-4,6,8-13,19H2,1H3,(H,20,22)
InChIKeyNHEPYHPNYBJGIW-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.34
Rot. Bonds8

About 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide

3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide (PubChem CID 39112930) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
PubChem CID39112930
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C18H29N3O2/c1-2-3-4-9-20-18(22)8-6-15-5-7-17(16(19)14-15)21-10-12-23-13-11-21/h5,7,14H,2-4,6,8-13,19H2,1H3,(H,20,22)
InChIKeyNHEPYHPNYBJGIW-UHFFFAOYSA-N
XLogP2.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
CID 82027749
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
CID 39112746
3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
CID 82027779
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758
3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide
CID 82027775
3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide
CID 39112865
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 39112705
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
CID 39407103
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
CID 39112783
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide?
The IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide (CID 39112930) is 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide.
What is the SMILES notation for 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide?
The canonical SMILES for 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide is CCCCCNC(=O)CCc1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide?
The InChIKey is NHEPYHPNYBJGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-3-4-9-20-18(22)8-6-15-5-7-17(16(19)14-15)21-10-12-23-13-11-21/h5,7,14H,2-4,6,8-13,19H2,1H3,(H,20,22).
What are the key properties of 3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide?
3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 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-pentylpropanamide is sourced from PubChem (CID 39112930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).