N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide

C15H22ClN3O2 — CID 43236472

IUPACN-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESO=C(CNCCCN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c16-13-2-4-14(5-3-13)18-15(20)12-17-6-1-7-19-8-10-21-11-9-19/h2-5,17H,1,6-12H2,(H,18,20)
InChIKeyHHJMVKUGVLZACR-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.59
Rot. Bonds7

About N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide

N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide (PubChem CID 43236472) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide
PubChem CID43236472
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESO=C(CNCCCN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c16-13-2-4-14(5-3-13)18-15(20)12-17-6-1-7-19-8-10-21-11-9-19/h2-5,17H,1,6-12H2,(H,18,20)
InChIKeyHHJMVKUGVLZACR-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.59
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

Nbd-556
CID 1570601
N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
Acetanilide, 2-morpholino-2',4',6'-trichloro-
CID 49949
4-Morpholineacetamide, N-phenyl-
CID 201328
5-Chloro-2-(morpholin-4-yl)aniline
CID 846189
Ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate
CID 104609
[4-(4-Chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
CID 976980
2-(5-Chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4880691
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
N-(4-Chloro-phenyl)-3-morpholin-4-yl-propionamide
CID 24746939
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide (CID 43236472) is N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide is O=C(CNCCCN1CCOCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
The InChIKey is HHJMVKUGVLZACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-2-4-14(5-3-13)18-15(20)12-17-6-1-7-19-8-10-21-11-9-19/h2-5,17H,1,6-12H2,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-morpholin-4-ylpropylamino)acetamide is sourced from PubChem (CID 43236472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).