N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide

C25H33N3O3 — CID 54845258

IUPACN-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(CNCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H33N3O3/c1-18(2)31-23-13-11-19(12-14-23)16-26-17-24(29)27-22-10-6-7-20(15-22)25(30)28-21-8-4-3-5-9-21/h6-7,10-15,18,21,26H,3-5,8-9,16-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUCBIXJQWNHZJEH-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.26
Rot. Bonds9

About N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide

N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide (PubChem CID 54845258) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
PubChem CID54845258
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(CNCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H33N3O3/c1-18(2)31-23-13-11-19(12-14-23)16-26-17-24(29)27-22-10-6-7-20(15-22)25(30)28-21-8-4-3-5-9-21/h6-7,10-15,18,21,26H,3-5,8-9,16-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUCBIXJQWNHZJEH-UHFFFAOYSA-N
XLogP4.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454
N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17170605
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775
N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845108
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide (CID 54845258) is N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide is CC(C)Oc1ccc(CNCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
The InChIKey is UCBIXJQWNHZJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)31-23-13-11-19(12-14-23)16-26-17-24(29)27-22-10-6-7-20(15-22)25(30)28-21-8-4-3-5-9-21/h6-7,10-15,18,21,26H,3-5,8-9,16-17H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 54845258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).