(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

C21H26N2O3 — CID 99959505

IUPAC(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-16(26-20-7-5-6-19(14-20)25-2)21(24)22-15-17-8-10-18(11-9-17)23-12-3-4-13-23/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeySPNQIYHLARJFHF-MRXNPFEDSA-N
MW354.45 g/mol
LogP3.38
Rot. Bonds7

About (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 99959505) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID99959505
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-16(26-20-7-5-6-19(14-20)25-2)21(24)22-15-17-8-10-18(11-9-17)23-12-3-4-13-23/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeySPNQIYHLARJFHF-MRXNPFEDSA-N
XLogP3.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 132658438
(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92676020
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
N-[(4-morpholin-4-ylphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282855
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 99959505) is (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide is COc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is SPNQIYHLARJFHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(26-20-7-5-6-19(14-20)25-2)21(24)22-15-17-8-10-18(11-9-17)23-12-3-4-13-23/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 99959505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).