N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride

C17H28ClN3O2 — CID 119440586

IUPACN'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)Nc1ccccc1CNCC.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-3-12-19-16(21)10-7-11-17(22)20-15-9-6-5-8-14(15)13-18-4-2;/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyHSUYNNXKESCNBF-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.85
Rot. Bonds10

About N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride

N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride (PubChem CID 119440586) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
PubChem CID119440586
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC NameN'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)Nc1ccccc1CNCC.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-3-12-19-16(21)10-7-11-17(22)20-15-9-6-5-8-14(15)13-18-4-2;/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyHSUYNNXKESCNBF-UHFFFAOYSA-N
XLogP2.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119439339
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013

Frequently Asked Questions

What is the IUPAC name of N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride?
The IUPAC name of N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride (CID 119440586) is N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride.
What is the SMILES notation for N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride?
The canonical SMILES for N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride is CCCNC(=O)CCCC(=O)Nc1ccccc1CNCC.Cl.
What is the InChIKey of N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride?
The InChIKey is HSUYNNXKESCNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-3-12-19-16(21)10-7-11-17(22)20-15-9-6-5-8-14(15)13-18-4-2;/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride?
N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride is sourced from PubChem (CID 119440586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).