N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide

C27H37N3O3 — CID 54820151

IUPACN-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H37N3O3/c1-2-3-4-8-19-33-25-17-15-22(16-18-25)28-20-26(31)29-24-13-11-21(12-14-24)27(32)30-23-9-6-5-7-10-23/h11-18,23,28H,2-10,19-20H2,1H3,(H,29,31)(H,30,32)
InChIKeyVAOLABHZXHUZDO-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.76
Rot. Bonds12

About N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide

N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide (PubChem CID 54820151) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
PubChem CID54820151
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC NameN-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H37N3O3/c1-2-3-4-8-19-33-25-17-15-22(16-18-25)28-20-26(31)29-24-13-11-21(12-14-24)27(32)30-23-9-6-5-7-10-23/h11-18,23,28H,2-10,19-20H2,1H3,(H,29,31)(H,30,32)
InChIKeyVAOLABHZXHUZDO-UHFFFAOYSA-N
XLogP5.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861
N-cyclohexyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide
CID 43878562
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide (CID 54820151) is N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide is CCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide?
The InChIKey is VAOLABHZXHUZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-2-3-4-8-19-33-25-17-15-22(16-18-25)28-20-26(31)29-24-13-11-21(12-14-24)27(32)30-23-9-6-5-7-10-23/h11-18,23,28H,2-10,19-20H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide?
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide has a molecular weight of 451.61 g/mol, XLogP of 5.76, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54820151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).