N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide

C20H31N3O4 — CID 119605106

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)NC2CCCC2CN)cc1OC
InChIInChI=1S/C20H31N3O4/c1-20(2,3)19(25)23-15-10-17(27-5)16(26-4)9-13(15)18(24)22-14-8-6-7-12(14)11-21/h9-10,12,14H,6-8,11,21H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLLRGCHJRCHMPEO-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide

N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide (PubChem CID 119605106) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
PubChem CID119605106
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)NC2CCCC2CN)cc1OC
InChIInChI=1S/C20H31N3O4/c1-20(2,3)19(25)23-15-10-17(27-5)16(26-4)9-13(15)18(24)22-14-8-6-7-12(14)11-21/h9-10,12,14H,6-8,11,21H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLLRGCHJRCHMPEO-UHFFFAOYSA-N
XLogP2.55
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide (CID 119605106) is N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide is COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC2CCCC2CN)cc1OC.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
The InChIKey is LLRGCHJRCHMPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-20(2,3)19(25)23-15-10-17(27-5)16(26-4)9-13(15)18(24)22-14-8-6-7-12(14)11-21/h9-10,12,14H,6-8,11,21H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide has a molecular weight of 377.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide is sourced from PubChem (CID 119605106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).