N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

C16H24ClN3O2 — CID 119719098

IUPACN,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-6-7-12(16(21)19(2)3)9-14(11)18-15(20)10-13-5-4-8-17-13;/h6-7,9,13,17H,4-5,8,10H2,1-3H3,(H,18,20);1H
InChIKeyZJFSIVHNLAGNLO-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.20
Rot. Bonds4

About N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119719098) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119719098
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-6-7-12(16(21)19(2)3)9-14(11)18-15(20)10-13-5-4-8-17-13;/h6-7,9,13,17H,4-5,8,10H2,1-3H3,(H,18,20);1H
InChIKeyZJFSIVHNLAGNLO-UHFFFAOYSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119741845
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119795362
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
CID 119725877
N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869974
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876328
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119890419
N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
3-(azepan-4-ylamino)-N,N,4-trimethylbenzamide
CID 103981185

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (CID 119719098) is N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is Cc1ccc(C(=O)N(C)C)cc1NC(=O)CC1CCCN1.Cl.
What is the InChIKey of N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is ZJFSIVHNLAGNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11-6-7-12(16(21)19(2)3)9-14(11)18-15(20)10-13-5-4-8-17-13;/h6-7,9,13,17H,4-5,8,10H2,1-3H3,(H,18,20);1H.
What are the key properties of N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119719098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).