4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride

C12H19ClN2O2 — CID 119754957

IUPAC4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
SMILESCOCCCN(C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-14(8-3-9-16-2)12(15)10-4-6-11(13)7-5-10;/h4-7H,3,8-9,13H2,1-2H3;1H
InChIKeyZVJBARZQGQGAPB-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride

4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride (PubChem CID 119754957) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
PubChem CID119754957
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
SMILESCOCCCN(C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-14(8-3-9-16-2)12(15)10-4-6-11(13)7-5-10;/h4-7H,3,8-9,13H2,1-2H3;1H
InChIKeyZVJBARZQGQGAPB-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 142015863
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
6-(ethylamino)-N-(3-methoxypropyl)-N-methylpyridine-3-carboxamide
CID 63009314
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride (CID 119754957) is 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride is COCCCN(C)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride?
The InChIKey is ZVJBARZQGQGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-14(8-3-9-16-2)12(15)10-4-6-11(13)7-5-10;/h4-7H,3,8-9,13H2,1-2H3;1H.
What are the key properties of 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride?
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119754957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).