2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

C23H37N3O2 — CID 131915440

IUPAC2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCOc1ccc(NC(C)(C)C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C23H37N3O2/c1-22(2,25-19-10-12-20(28-3)13-11-19)21(27)24-18-23(14-6-4-7-15-23)26-16-8-5-9-17-26/h10-13,25H,4-9,14-18H2,1-3H3,(H,24,27)
InChIKeyVFZKDLCJXXDBGU-UHFFFAOYSA-N
MW387.57 g/mol
LogP4.19
Rot. Bonds7

About 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (PubChem CID 131915440) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
PubChem CID131915440
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCOc1ccc(NC(C)(C)C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C23H37N3O2/c1-22(2,25-19-10-12-20(28-3)13-11-19)21(27)24-18-23(14-6-4-7-15-23)26-16-8-5-9-17-26/h10-13,25H,4-9,14-18H2,1-3H3,(H,24,27)
InChIKeyVFZKDLCJXXDBGU-UHFFFAOYSA-N
XLogP4.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319
2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide
CID 134917893
2-(4-acetylphenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2579923
2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2449625
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 18150680
2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2426774
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97194876

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (CID 131915440) is 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is COc1ccc(NC(C)(C)C(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The InChIKey is VFZKDLCJXXDBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-22(2,25-19-10-12-20(28-3)13-11-19)21(27)24-18-23(14-6-4-7-15-23)26-16-8-5-9-17-26/h10-13,25H,4-9,14-18H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide has a molecular weight of 387.57 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 131915440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).