(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide

C15H21ClN2O3 — CID 164935393

IUPAC(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NOCCN1CCCC1
InChIInChI=1S/C15H21ClN2O3/c1-12(21-14-6-4-13(16)5-7-14)15(19)17-20-11-10-18-8-2-3-9-18/h4-7,12H,2-3,8-11H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyBLRVHNYSZZKAMN-LBPRGKRZSA-N
MW312.80 g/mol
LogP2.25
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide

(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide (PubChem CID 164935393) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
PubChem CID164935393
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NOCCN1CCCC1
InChIInChI=1S/C15H21ClN2O3/c1-12(21-14-6-4-13(16)5-7-14)15(19)17-20-11-10-18-8-2-3-9-18/h4-7,12H,2-3,8-11H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyBLRVHNYSZZKAMN-LBPRGKRZSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
CID 164935451
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide
CID 170322640
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
CID 112551058
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide
CID 110643034
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
CID 155413533
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
CID 79676608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide (CID 164935393) is (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)NOCCN1CCCC1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide?
The InChIKey is BLRVHNYSZZKAMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-12(21-14-6-4-13(16)5-7-14)15(19)17-20-11-10-18-8-2-3-9-18/h4-7,12H,2-3,8-11H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide?
(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide has a molecular weight of 312.80 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide is sourced from PubChem (CID 164935393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).