(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

C24H32N2O2 — CID 100600862

IUPAC(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H32N2O2/c1-17(2)22-12-7-18(3)15-23(22)28-19(4)24(27)25-16-20-8-10-21(11-9-20)26-13-5-6-14-26/h7-12,15,17,19H,5-6,13-14,16H2,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyYDEXMIXONRVJOZ-IBGZPJMESA-N
MW380.53 g/mol
LogP4.80
Rot. Bonds7

About (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 100600862) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID100600862
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H32N2O2/c1-17(2)22-12-7-18(3)15-23(22)28-19(4)24(27)25-16-20-8-10-21(11-9-20)26-13-5-6-14-26/h7-12,15,17,19H,5-6,13-14,16H2,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyYDEXMIXONRVJOZ-IBGZPJMESA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166790
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 100516543
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17013697
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
(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)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 99959505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 100600862) is (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide is Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is YDEXMIXONRVJOZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)22-12-7-18(3)15-23(22)28-19(4)24(27)25-16-20-8-10-21(11-9-20)26-13-5-6-14-26/h7-12,15,17,19H,5-6,13-14,16H2,1-4H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 380.53 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 100600862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).