N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

C20H31ClN2O3 — CID 119553689

IUPACN-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCCCCOc1ccc(C(=O)CCC(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-3-4-5-14-25-18-8-6-16(7-9-18)19(23)10-11-20(24)22(2)17-12-13-21-15-17;/h6-9,17,21H,3-5,10-15H2,1-2H3;1H
InChIKeyGLMIJSAQONKWNY-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.46
Rot. Bonds10

About N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119553689) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119553689
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC NameN-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCCCCOc1ccc(C(=O)CCC(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-3-4-5-14-25-18-8-6-16(7-9-18)19(23)10-11-20(24)22(2)17-12-13-21-15-17;/h6-9,17,21H,3-5,10-15H2,1-2H3;1H
InChIKeyGLMIJSAQONKWNY-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.46
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-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119553689) is N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is CCCCCOc1ccc(C(=O)CCC(=O)N(C)C2CCNC2)cc1.Cl.
What is the InChIKey of N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is GLMIJSAQONKWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-3-4-5-14-25-18-8-6-16(7-9-18)19(23)10-11-20(24)22(2)17-12-13-21-15-17;/h6-9,17,21H,3-5,10-15H2,1-2H3;1H.
What are the key properties of N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119553689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).