N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide

C15H29N3O3 — CID 83097068

IUPACN-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
SMILESCC(C)NCCCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C15H29N3O3/c1-11(2)16-7-5-6-14(19)18-8-9-21-10-13(18)15(20)17-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,20)
InChIKeyJSKSUKUDRCEHFA-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.52
Rot. Bonds7

About N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide

N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide (PubChem CID 83097068) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
PubChem CID83097068
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
SMILESCC(C)NCCCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C15H29N3O3/c1-11(2)16-7-5-6-14(19)18-8-9-21-10-13(18)15(20)17-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,20)
InChIKeyJSKSUKUDRCEHFA-UHFFFAOYSA-N
XLogP0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490
4-(2-piperidin-3-ylacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099192
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide?
The IUPAC name of N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide (CID 83097068) is N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide is CC(C)NCCCC(=O)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide?
The InChIKey is JSKSUKUDRCEHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)16-7-5-6-14(19)18-8-9-21-10-13(18)15(20)17-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide?
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide is sourced from PubChem (CID 83097068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).