N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide

C28H37N3O4 — CID 3643543

IUPACN-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C28H37N3O4/c1-19-13-15-31(16-14-19)25-12-9-21(17-24(25)28(33)29-20-7-5-4-6-8-20)30-27(32)23-11-10-22(34-2)18-26(23)35-3/h9-12,17-20H,4-8,13-16H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyWWMYWCVNYRXETP-UHFFFAOYSA-N
MW479.62 g/mol
LogP5.25
Rot. Bonds7

About N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide

N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 3643543) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID3643543
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC NameN-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C28H37N3O4/c1-19-13-15-31(16-14-19)25-12-9-21(17-24(25)28(33)29-20-7-5-4-6-8-20)30-27(32)23-11-10-22(34-2)18-26(23)35-3/h9-12,17-20H,4-8,13-16H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyWWMYWCVNYRXETP-UHFFFAOYSA-N
XLogP5.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3299631
5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 1054167
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 4265195
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42755598
5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 42757156
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 4313980
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 4574277

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide (CID 3643543) is N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC3CCCCC3)c2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is WWMYWCVNYRXETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-19-13-15-31(16-14-19)25-12-9-21(17-24(25)28(33)29-20-7-5-4-6-8-20)30-27(32)23-11-10-22(34-2)18-26(23)35-3/h9-12,17-20H,4-8,13-16H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 479.62 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3643543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).