N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide

C23H35ClN4O3 — CID 52506860

IUPACN-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C23H35ClN4O3/c24-19-10-8-18(9-11-19)21(28-13-15-31-16-14-28)17-26-22(29)7-4-12-25-23(30)27-20-5-2-1-3-6-20/h8-11,20-21H,1-7,12-17H2,(H,26,29)(H2,25,27,30)/t21-/m1/s1
InChIKeyOCDNCZLXPROMLJ-OAQYLSRUSA-N
MW451.01 g/mol
LogP3.24
Rot. Bonds9

About N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide

N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide (PubChem CID 52506860) has the molecular formula C23H35ClN4O3 and a molecular weight of 451.01 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide
PubChem CID52506860
Molecular FormulaC23H35ClN4O3
Molecular Weight451.01 g/mol
Exact Mass450.24
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C23H35ClN4O3/c24-19-10-8-18(9-11-19)21(28-13-15-31-16-14-28)17-26-22(29)7-4-12-25-23(30)27-20-5-2-1-3-6-20/h8-11,20-21H,1-7,12-17H2,(H,26,29)(H2,25,27,30)/t21-/m1/s1
InChIKeyOCDNCZLXPROMLJ-OAQYLSRUSA-N
XLogP3.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide
CID 134057481
3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946
N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46482976
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 60597341
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112503792
methyl 3-(4-chlorophenyl)-3-[4-(cyclohexylcarbamoylamino)butanoylamino]propanoate
CID 55513615
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide (CID 52506860) is N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide is O=C(CCCNC(=O)NC1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide?
The InChIKey is OCDNCZLXPROMLJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H35ClN4O3/c24-19-10-8-18(9-11-19)21(28-13-15-31-16-14-28)17-26-22(29)7-4-12-25-23(30)27-20-5-2-1-3-6-20/h8-11,20-21H,1-7,12-17H2,(H,26,29)(H2,25,27,30)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide?
N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide has a molecular weight of 451.01 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide is sourced from PubChem (CID 52506860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).