(3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide

C19H29N3O3 — CID 122557048

IUPAC(3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCCc1ccc(CCNC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-2-15-3-5-16(6-4-15)7-8-20-19(24)22-13-17(18(23)14-22)21-9-11-25-12-10-21/h3-6,17-18,23H,2,7-14H2,1H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyYTBDXOCRRKMWPW-ROUUACIJSA-N
MW347.46 g/mol
LogP0.88
Rot. Bonds5

About (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide

(3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide (PubChem CID 122557048) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide
PubChem CID122557048
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCCc1ccc(CCNC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-2-15-3-5-16(6-4-15)7-8-20-19(24)22-13-17(18(23)14-22)21-9-11-25-12-10-21/h3-6,17-18,23H,2,7-14H2,1H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyYTBDXOCRRKMWPW-ROUUACIJSA-N
XLogP0.88
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-N-(4-hexylphenyl)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide
CID 74233887
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 56909674
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124574545
4-[2-(1,4-oxazepane-4-carbonylamino)ethyl]benzoic acid
CID 62968342
2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 91764658
N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide
CID 138011265
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-4-oxobutanoic acid
CID 122569456
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022
(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95280981

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide (CID 122557048) is (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide is CCc1ccc(CCNC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1.
What is the InChIKey of (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is YTBDXOCRRKMWPW-ROUUACIJSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-15-3-5-16(6-4-15)7-8-20-19(24)22-13-17(18(23)14-22)21-9-11-25-12-10-21/h3-6,17-18,23H,2,7-14H2,1H3,(H,20,24)/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide?
(3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 122557048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).