4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide

C22H27N3O3 — CID 91838731

IUPAC4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(C(N)=O)cc1)C1CCCC1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-5-2-6-17(20)14-25(19-7-3-4-8-19)15-21(26)24-18-12-10-16(11-13-18)22(23)27/h2,5-6,9-13,19H,3-4,7-8,14-15H2,1H3,(H2,23,27)(H,24,26)
InChIKeyORINPKXGJUWTTD-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.18
Rot. Bonds8

About 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide

4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide (PubChem CID 91838731) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide
PubChem CID91838731
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(C(N)=O)cc1)C1CCCC1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-5-2-6-17(20)14-25(19-7-3-4-8-19)15-21(26)24-18-12-10-16(11-13-18)22(23)27/h2,5-6,9-13,19H,3-4,7-8,14-15H2,1H3,(H2,23,27)(H,24,26)
InChIKeyORINPKXGJUWTTD-UHFFFAOYSA-N
XLogP3.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 55828921
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 78899690
2-[cyclopentyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]ethanethioamide
CID 104792163
N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151216
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide (CID 91838731) is 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide is COc1ccccc1CN(CC(=O)Nc1ccc(C(N)=O)cc1)C1CCCC1.
What is the InChIKey of 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide?
The InChIKey is ORINPKXGJUWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-9-5-2-6-17(20)14-25(19-7-3-4-8-19)15-21(26)24-18-12-10-16(11-13-18)22(23)27/h2,5-6,9-13,19H,3-4,7-8,14-15H2,1H3,(H2,23,27)(H,24,26).
What are the key properties of 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide?
4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclopentyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 91838731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).