N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide

C25H37N3O5 — CID 25412994

IUPACN-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide
SMILESCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1
InChIInChI=1S/C25H37N3O5/c1-17(2)28(25(31)24(30)27-19-8-5-4-6-9-19)22(18-11-13-20(32-3)14-12-18)23(29)26-16-21-10-7-15-33-21/h11-14,17,19,21-22H,4-10,15-16H2,1-3H3,(H,26,29)(H,27,30)/t21-,22+/m1/s1
InChIKeyLNTAYERLMQLRJC-YADHBBJMSA-N
MW459.59 g/mol
LogP2.72
Rot. Bonds8

About N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide

N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide (PubChem CID 25412994) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide
PubChem CID25412994
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC NameN-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide
SMILESCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1
InChIInChI=1S/C25H37N3O5/c1-17(2)28(25(31)24(30)27-19-8-5-4-6-9-19)22(18-11-13-20(32-3)14-12-18)23(29)26-16-21-10-7-15-33-21/h11-14,17,19,21-22H,4-10,15-16H2,1-3H3,(H,26,29)(H,27,30)/t21-,22+/m1/s1
InChIKeyLNTAYERLMQLRJC-YADHBBJMSA-N
XLogP2.72
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110407933
2-[(2-chloroacetyl)-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809784
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
N-cyclohexyl-N'-[1-(2-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220020
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213494
N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide
CID 25412581
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7453365
N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide
CID 25412970
(2R)-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046673
(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide
CID 40624650
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
CID 7406773

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide (CID 25412994) is N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide is COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1.
What is the InChIKey of N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide?
The InChIKey is LNTAYERLMQLRJC-YADHBBJMSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-17(2)28(25(31)24(30)27-19-8-5-4-6-9-19)22(18-11-13-20(32-3)14-12-18)23(29)26-16-21-10-7-15-33-21/h11-14,17,19,21-22H,4-10,15-16H2,1-3H3,(H,26,29)(H,27,30)/t21-,22+/m1/s1.
What are the key properties of N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide?
N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide has a molecular weight of 459.59 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 25412994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).