4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide

C16H24N2O3 — CID 119552321

IUPAC4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOCCCOc1ccc(C(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C16H24N2O3/c1-18(14-8-9-17-12-14)16(19)13-4-6-15(7-5-13)21-11-3-10-20-2/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyKGZFGEKQKHKLJM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds7

About 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide

4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119552321) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119552321
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOCCCOc1ccc(C(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C16H24N2O3/c1-18(14-8-9-17-12-14)16(19)13-4-6-15(7-5-13)21-11-3-10-20-2/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyKGZFGEKQKHKLJM-UHFFFAOYSA-N
XLogP1.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125146023

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 119552321) is 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide is COCCCOc1ccc(C(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is KGZFGEKQKHKLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(14-8-9-17-12-14)16(19)13-4-6-15(7-5-13)21-11-3-10-20-2/h4-7,14,17H,3,8-12H2,1-2H3.
What are the key properties of 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide?
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119552321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).