N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide

C27H36N4O4 — CID 3220033

IUPACN'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide
SMILESCOc1ccc(C(C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H36N4O4/c1-27(2,3)30-24(32)23(20-12-14-22(35-4)15-13-20)31(18-19-9-8-16-28-17-19)26(34)25(33)29-21-10-6-5-7-11-21/h8-9,12-17,21,23H,5-7,10-11,18H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyDWTKLGCORARTQC-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.52
Rot. Bonds7

About N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide

N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 3220033) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID3220033
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide
SMILESCOc1ccc(C(C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H36N4O4/c1-27(2,3)30-24(32)23(20-12-14-22(35-4)15-13-20)31(18-19-9-8-16-28-17-19)26(34)25(33)29-21-10-6-5-7-11-21/h8-9,12-17,21,23H,5-7,10-11,18H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyDWTKLGCORARTQC-UHFFFAOYSA-N
XLogP3.52
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1S)-2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide
CID 25413039
N-cyclohexyl-N'-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 3220032
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
(3S)-N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1174225
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
methyl 4-[2-(cyclohexylamino)-1-[2,3-dihydro-1,4-benzodioxine-3-carbonyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzoate
CID 3721006
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
CID 166632953
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 3868737
N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1167455
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25315394
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 4642657

Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide (CID 3220033) is N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide is COc1ccc(C(C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is DWTKLGCORARTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-27(2,3)30-24(32)23(20-12-14-22(35-4)15-13-20)31(18-19-9-8-16-28-17-19)26(34)25(33)29-21-10-6-5-7-11-21/h8-9,12-17,21,23H,5-7,10-11,18H2,1-4H3,(H,29,33)(H,30,32).
What are the key properties of N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide?
N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 480.61 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3220033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).