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

C15H20N2O2 — CID 97427532

IUPACN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C15H20N2O2/c1-19-14-8-9-17(10-14)13-6-4-12(5-7-13)16-15(18)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyGQQZOTJLNRQDMC-AWEZNQCLSA-N
MW260.34 g/mol
LogP2.26
Rot. Bonds4

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

N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 97427532) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID97427532
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C15H20N2O2/c1-19-14-8-9-17(10-14)13-6-4-12(5-7-13)16-15(18)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyGQQZOTJLNRQDMC-AWEZNQCLSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.26
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-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
CID 97427651
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
1-[(4-chlorophenyl)methyl]-3-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]urea
CID 97427698
1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
CID 90595543
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (CID 97427532) is N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is CO[C@H]1CCN(c2ccc(NC(=O)C3CC3)cc2)C1.
What is the InChIKey of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is GQQZOTJLNRQDMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-8-9-17(10-14)13-6-4-12(5-7-13)16-15(18)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.26, 4 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]cyclopropanecarboxamide is sourced from PubChem (CID 97427532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).