4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride

C19H32Cl2N4O2 — CID 119881963

IUPAC4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C19H30N4O2.2ClH/c1-2-5-17(20)19(25)22-14-15-6-8-16(9-7-15)18(24)21-10-13-23-11-3-4-12-23;;/h6-9,17H,2-5,10-14,20H2,1H3,(H,21,24)(H,22,25);2*1H
InChIKeyJLMDSQYVPYELKE-UHFFFAOYSA-N
MW419.40 g/mol
LogP2.10
Rot. Bonds9

About 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride

4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride (PubChem CID 119881963) has the molecular formula C19H32Cl2N4O2 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
PubChem CID119881963
Molecular FormulaC19H32Cl2N4O2
Molecular Weight419.40 g/mol
Exact Mass418.19
IUPAC Name4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C19H30N4O2.2ClH/c1-2-5-17(20)19(25)22-14-15-6-8-16(9-7-15)18(24)21-10-13-23-11-3-4-12-23;;/h6-9,17H,2-5,10-14,20H2,1H3,(H,21,24)(H,22,25);2*1H
InChIKeyJLMDSQYVPYELKE-UHFFFAOYSA-N
XLogP2.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-amino-4-[4-(2-methoxyethyl)piperazin-1-yl]butanoyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 167761876
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881981
4-[[(2-amino-2-methylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881951
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120596728
N-[2-(2-aminopentanoylamino)ethyl]-4-bromobenzamide
CID 119299531
(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide
CID 66638181
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride (CID 119881963) is 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride is CCCC(N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1.Cl.Cl.
What is the InChIKey of 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
The InChIKey is JLMDSQYVPYELKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.2ClH/c1-2-5-17(20)19(25)22-14-15-6-8-16(9-7-15)18(24)21-10-13-23-11-3-4-12-23;;/h6-9,17H,2-5,10-14,20H2,1H3,(H,21,24)(H,22,25);2*1H.
What are the key properties of 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride has a molecular weight of 419.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119881963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).