N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride

C16H27Cl2N3O — CID 119554876

IUPACN-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)N(C)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-4-11-18(2)14-7-5-13(6-8-14)16(20)19(3)15-9-10-17-12-15;;/h5-8,15,17H,4,9-12H2,1-3H3;2*1H
InChIKeyWKEVRUHCJHJMNJ-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride

N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride (PubChem CID 119554876) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
PubChem CID119554876
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC NameN-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)N(C)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-4-11-18(2)14-7-5-13(6-8-14)16(20)19(3)15-9-10-17-12-15;;/h5-8,15,17H,4,9-12H2,1-3H3;2*1H
InChIKeyWKEVRUHCJHJMNJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride (CID 119554876) is N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride is CCCN(C)c1ccc(C(=O)N(C)C2CCNC2)cc1.Cl.Cl.
What is the InChIKey of N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The InChIKey is WKEVRUHCJHJMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-4-11-18(2)14-7-5-13(6-8-14)16(20)19(3)15-9-10-17-12-15;;/h5-8,15,17H,4,9-12H2,1-3H3;2*1H.
What are the key properties of N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119554876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).