3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide

C19H31N3O2 — CID 82027779

IUPAC3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C19H31N3O2/c1-3-9-22(10-4-2)19(23)8-6-16-5-7-18(17(20)15-16)21-11-13-24-14-12-21/h5,7,15H,3-4,6,8-14,20H2,1-2H3
InChIKeyKRGDVWCOMFYGRY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.69
Rot. Bonds8

About 3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide

3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide (PubChem CID 82027779) 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,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
PubChem CID82027779
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C19H31N3O2/c1-3-9-22(10-4-2)19(23)8-6-16-5-7-18(17(20)15-16)21-11-13-24-14-12-21/h5,7,15H,3-4,6,8-14,20H2,1-2H3
InChIKeyKRGDVWCOMFYGRY-UHFFFAOYSA-N
XLogP2.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.69
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-tert-butyl-N-ethylpropanamide
CID 82027775
3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
CID 39112930
3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
CID 82027749
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 39131226
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
CID 39407103
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
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,N-dipropylpropanamide?
The IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide (CID 82027779) is 3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCc1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of 3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide?
The InChIKey is KRGDVWCOMFYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-9-22(10-4-2)19(23)8-6-16-5-7-18(17(20)15-16)21-11-13-24-14-12-21/h5,7,15H,3-4,6,8-14,20H2,1-2H3.
What are the key properties of 3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide?
3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.69, 8 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,N-dipropylpropanamide is sourced from PubChem (CID 82027779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).