3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide

C15H21N3O3 — CID 82763579

IUPAC3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C15H21N3O3/c1-15(7-3-4-12(15)16)14(20)18-10-8-9(13(17)19)5-6-11(10)21-2/h5-6,8,12H,3-4,7,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyROWUYRTXEPBZHJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.25
Rot. Bonds4

About 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide

3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide (PubChem CID 82763579) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide
PubChem CID82763579
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C15H21N3O3/c1-15(7-3-4-12(15)16)14(20)18-10-8-9(13(17)19)5-6-11(10)21-2/h5-6,8,12H,3-4,7,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyROWUYRTXEPBZHJ-UHFFFAOYSA-N
XLogP1.25
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide?
The IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide (CID 82763579) is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide?
The canonical SMILES for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)C1(C)CCCC1N.
What is the InChIKey of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide?
The InChIKey is ROWUYRTXEPBZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(7-3-4-12(15)16)14(20)18-10-8-9(13(17)19)5-6-11(10)21-2/h5-6,8,12H,3-4,7,16H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide?
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide has a molecular weight of 291.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide is sourced from PubChem (CID 82763579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).