3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide

C22H29N3O2 — CID 110496641

IUPAC3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1N
InChIInChI=1S/C22H29N3O2/c1-2-14-27-21-11-10-18(15-19(21)23)22(26)24-16-20(25-12-6-7-13-25)17-8-4-3-5-9-17/h3-5,8-11,15,20H,2,6-7,12-14,16,23H2,1H3,(H,24,26)
InChIKeyKUVBPUJSYYQAGN-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.62
Rot. Bonds8

About 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide

3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide (PubChem CID 110496641) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
PubChem CID110496641
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1N
InChIInChI=1S/C22H29N3O2/c1-2-14-27-21-11-10-18(15-19(21)23)22(26)24-16-20(25-12-6-7-13-25)17-8-4-3-5-9-17/h3-5,8-11,15,20H,2,6-7,12-14,16,23H2,1H3,(H,24,26)
InChIKeyKUVBPUJSYYQAGN-UHFFFAOYSA-N
XLogP3.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070467
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide (CID 110496641) is 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1N.
What is the InChIKey of 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
The InChIKey is KUVBPUJSYYQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-14-27-21-11-10-18(15-19(21)23)22(26)24-16-20(25-12-6-7-13-25)17-8-4-3-5-9-17/h3-5,8-11,15,20H,2,6-7,12-14,16,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide is sourced from PubChem (CID 110496641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).