4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide

C12H23N3O3 — CID 113266090

IUPAC4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
SMILESCNCCCC(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-13-5-2-3-11(16)14-6-4-12(17)15-7-9-18-10-8-15/h13H,2-10H2,1H3,(H,14,16)
InChIKeyJSARBPRPVDKJLZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds7

About 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide

4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide (PubChem CID 113266090) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
PubChem CID113266090
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
SMILESCNCCCC(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-13-5-2-3-11(16)14-6-4-12(17)15-7-9-18-10-8-15/h13H,2-10H2,1H3,(H,14,16)
InChIKeyJSARBPRPVDKJLZ-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119849872
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-ethyl-1-methyl-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 113229862
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
N'-(3-morpholin-4-yl-3-oxopropyl)propanehydrazide
CID 67586410

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide (CID 113266090) is 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide is CNCCCC(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
The InChIKey is JSARBPRPVDKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-13-5-2-3-11(16)14-6-4-12(17)15-7-9-18-10-8-15/h13H,2-10H2,1H3,(H,14,16).
What are the key properties of 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide is sourced from PubChem (CID 113266090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).