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

C16H24ClN3O3 — CID 119741845

IUPAC4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-19(2)16(21)11-6-7-14(22-3)13(9-11)18-15(20)10-12-5-4-8-17-12;/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,18,20);1H
InChIKeyVUKAKXJIMFNYAH-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.90
Rot. Bonds5

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

4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119741845) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119741845
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-19(2)16(21)11-6-7-14(22-3)13(9-11)18-15(20)10-12-5-4-8-17-12;/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,18,20);1H
InChIKeyVUKAKXJIMFNYAH-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119719098
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 119741837
N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119791373
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711100
N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119756535
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
4-methoxy-3-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62674715
3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60537519
dimethyl 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673725

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (CID 119741845) is 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is COc1ccc(C(=O)N(C)C)cc1NC(=O)CC1CCCN1.Cl.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is VUKAKXJIMFNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-19(2)16(21)11-6-7-14(22-3)13(9-11)18-15(20)10-12-5-4-8-17-12;/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,18,20);1H.
What are the key properties of 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119741845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).