4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide

C18H27N3O2 — CID 71040468

IUPAC4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-15-4-2-14(3-5-15)18(22)20-16-6-8-17(9-7-16)21-10-12-23-13-11-21/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,20,22)
InChIKeyGBWIHZLQVAVMLJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.24
Rot. Bonds4

About 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide

4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 71040468) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
PubChem CID71040468
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-15-4-2-14(3-5-15)18(22)20-16-6-8-17(9-7-16)21-10-12-23-13-11-21/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,20,22)
InChIKeyGBWIHZLQVAVMLJ-UHFFFAOYSA-N
XLogP2.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 90513233
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27516821
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide (CID 71040468) is 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide is CNC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is GBWIHZLQVAVMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-15-4-2-14(3-5-15)18(22)20-16-6-8-17(9-7-16)21-10-12-23-13-11-21/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,20,22).
What are the key properties of 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71040468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).