N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide

C16H24N2O2 — CID 97427535

IUPACN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CC[C@H](OC)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-16(19)17-13-6-8-14(9-7-13)18-11-10-15(12-18)20-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeySPYDQVGBMXRCQM-HNNXBMFYSA-N
MW276.38 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide

N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide (PubChem CID 97427535) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
PubChem CID97427535
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CC[C@H](OC)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-16(19)17-13-6-8-14(9-7-13)18-11-10-15(12-18)20-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeySPYDQVGBMXRCQM-HNNXBMFYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 97427618
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide?
The IUPAC name of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide (CID 97427535) is N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide?
The canonical SMILES for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(N2CC[C@H](OC)C2)cc1.
What is the InChIKey of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide?
The InChIKey is SPYDQVGBMXRCQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-16(19)17-13-6-8-14(9-7-13)18-11-10-15(12-18)20-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide?
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide has a molecular weight of 276.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide is sourced from PubChem (CID 97427535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).