3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

C18H28ClN3O3 — CID 120561368

IUPAC3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-13(19)7-8-17(22)20-11-14-4-2-5-15(10-14)18(23)21-12-16-6-3-9-24-16;/h2,4-5,10,13,16H,3,6-9,11-12,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyDPSSDUAZLCBKFP-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.76
Rot. Bonds8

About 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 120561368) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
PubChem CID120561368
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-13(19)7-8-17(22)20-11-14-4-2-5-15(10-14)18(23)21-12-16-6-3-9-24-16;/h2,4-5,10,13,16H,3,6-9,11-12,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyDPSSDUAZLCBKFP-UHFFFAOYSA-N
XLogP1.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305129
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 75382929
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
(2S,5R)-5-(aminomethyl)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120790023

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (CID 120561368) is 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is CC(N)CCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1.Cl.
What is the InChIKey of 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is DPSSDUAZLCBKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-13(19)7-8-17(22)20-11-14-4-2-5-15(10-14)18(23)21-12-16-6-3-9-24-16;/h2,4-5,10,13,16H,3,6-9,11-12,19H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 120561368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).