N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide

C19H28ClN3O2 — CID 125157433

IUPACN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H28ClN3O2/c20-17-5-3-16(4-6-17)18(23-8-1-2-9-23)15-21-19(24)7-10-22-11-13-25-14-12-22/h3-6,18H,1-2,7-15H2,(H,21,24)/t18-/m1/s1
InChIKeyPCFAODBCIWJOKS-GOSISDBHSA-N
MW365.91 g/mol
LogP2.32
Rot. Bonds7

About N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide (PubChem CID 125157433) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
PubChem CID125157433
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H28ClN3O2/c20-17-5-3-16(4-6-17)18(23-8-1-2-9-23)15-21-19(24)7-10-22-11-13-25-14-12-22/h3-6,18H,1-2,7-15H2,(H,21,24)/t18-/m1/s1
InChIKeyPCFAODBCIWJOKS-GOSISDBHSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125169295
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 125445949
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 60597341
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112503792
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 52506860

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide (CID 125157433) is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NC[C@H](c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide?
The InChIKey is PCFAODBCIWJOKS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c20-17-5-3-16(4-6-17)18(23-8-1-2-9-23)15-21-19(24)7-10-22-11-13-25-14-12-22/h3-6,18H,1-2,7-15H2,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide?
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide has a molecular weight of 365.91 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 125157433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).