4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride

C21H35ClN2O — CID 162755757

IUPAC4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(C(=O)N[C@H]2CCNC2)cc1.Cl
InChIInChI=1S/C21H34N2O.ClH/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)21(24)23-20-15-16-22-17-20;/h11-14,20,22H,2-10,15-17H2,1H3,(H,23,24);1H/t20-;/m0./s1
InChIKeyIWDMYEUWTCMKFI-BDQAORGHSA-N
MW366.98 g/mol
LogP4.88
Rot. Bonds11

About 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride

4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride (PubChem CID 162755757) has the molecular formula C21H35ClN2O and a molecular weight of 366.98 g/mol. Its IUPAC name is 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
PubChem CID162755757
Molecular FormulaC21H35ClN2O
Molecular Weight366.98 g/mol
Exact Mass366.24
IUPAC Name4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(C(=O)N[C@H]2CCNC2)cc1.Cl
InChIInChI=1S/C21H34N2O.ClH/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)21(24)23-20-15-16-22-17-20;/h11-14,20,22H,2-10,15-17H2,1H3,(H,23,24);1H/t20-;/m0./s1
InChIKeyIWDMYEUWTCMKFI-BDQAORGHSA-N
XLogP4.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174193075
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 126445059
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105

Frequently Asked Questions

What is the IUPAC name of 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride?
The IUPAC name of 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride (CID 162755757) is 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride is CCCCCCCCCCc1ccc(C(=O)N[C@H]2CCNC2)cc1.Cl.
What is the InChIKey of 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride?
The InChIKey is IWDMYEUWTCMKFI-BDQAORGHSA-N. The full InChI is InChI=1S/C21H34N2O.ClH/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)21(24)23-20-15-16-22-17-20;/h11-14,20,22H,2-10,15-17H2,1H3,(H,23,24);1H/t20-;/m0./s1.
What are the key properties of 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride?
4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride has a molecular weight of 366.98 g/mol, XLogP of 4.88, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 162755757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).