4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide

C12H21ClN2O3 — CID 83107155

IUPAC4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)C(C)CCl
InChIInChI=1S/C12H21ClN2O3/c1-8(2)14-11(16)10-7-18-5-4-15(10)12(17)9(3)6-13/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKeyYLSWMMDTPGEDTH-UHFFFAOYSA-N
MW276.76 g/mol
LogP0.61
Rot. Bonds4

About 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83107155) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83107155
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)C(C)CCl
InChIInChI=1S/C12H21ClN2O3/c1-8(2)14-11(16)10-7-18-5-4-15(10)12(17)9(3)6-13/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKeyYLSWMMDTPGEDTH-UHFFFAOYSA-N
XLogP0.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-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-(ethylamino)-2-methylpropanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098665
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097281
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 107840822
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83107155) is 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)C(C)CCl.
What is the InChIKey of 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is YLSWMMDTPGEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O3/c1-8(2)14-11(16)10-7-18-5-4-15(10)12(17)9(3)6-13/h8-10H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 276.76 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83107155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).