4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide

C18H28N4O3 — CID 119900958

IUPAC4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C18H28N4O3/c19-5-1-2-18(23)20-16-4-3-15(21-6-10-24-11-7-21)14-17(16)22-8-12-25-13-9-22/h3-4,14H,1-2,5-13,19H2,(H,20,23)
InChIKeyPQSXXOSDUHFCMD-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.04
Rot. Bonds6

About 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide

4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide (PubChem CID 119900958) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
PubChem CID119900958
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C18H28N4O3/c19-5-1-2-18(23)20-16-4-3-15(21-6-10-24-11-7-21)14-17(16)22-8-12-25-13-9-22/h3-4,14H,1-2,5-13,19H2,(H,20,23)
InChIKeyPQSXXOSDUHFCMD-UHFFFAOYSA-N
XLogP1.04
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
methyl 2-(7-aminoheptanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840926
N-(2,4-dimorpholin-4-ylphenyl)-5-(dithiolan-3-yl)pentanamide
CID 24648058
3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 112803801
N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 24648015
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide?
The IUPAC name of 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide (CID 119900958) is 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide is NCCCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide?
The InChIKey is PQSXXOSDUHFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c19-5-1-2-18(23)20-16-4-3-15(21-6-10-24-11-7-21)14-17(16)22-8-12-25-13-9-22/h3-4,14H,1-2,5-13,19H2,(H,20,23).
What are the key properties of 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide?
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide has a molecular weight of 348.45 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 119900958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).