(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide

C20H30N4O3 — CID 72923158

IUPAC(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H30N4O3/c1-3-21-20(26)19-12-17(22-15(2)25)14-24(19)13-16-5-4-6-18(11-16)23-7-9-27-10-8-23/h4-6,11,17,19H,3,7-10,12-14H2,1-2H3,(H,21,26)(H,22,25)/t17-,19-/m0/s1
InChIKeyYKDILLSKOLRJJO-HKUYNNGSSA-N
MW374.49 g/mol
LogP0.74
Rot. Bonds6

About (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 72923158) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID72923158
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H30N4O3/c1-3-21-20(26)19-12-17(22-15(2)25)14-24(19)13-16-5-4-6-18(11-16)23-7-9-27-10-8-23/h4-6,11,17,19H,3,7-10,12-14H2,1-2H3,(H,21,26)(H,22,25)/t17-,19-/m0/s1
InChIKeyYKDILLSKOLRJJO-HKUYNNGSSA-N
XLogP0.74
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 72868430
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 72919904
(2S,4S)-1-benzyl-N-ethyl-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45249488
(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
CID 102814279
(2S,4S)-N-ethyl-4-[[5-(hydroxymethyl)furan-2-carbonyl]amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72871900
(2S,4S)-1-benzyl-4-[(2,5-dimethylphenyl)methylamino]-N-ethylpyrrolidine-2-carboxamide
CID 45220890
N-ethyl-N-[(3-morpholin-4-ylphenyl)methyl]acetamide
CID 144965173
(2S,4S)-N-ethyl-4-[(5-methylthiophene-3-carbonyl)amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72842223
(2S,4S)-4-(cyclobutanecarbonylamino)-N-ethyl-1-(1H-indol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 72932254
(2S,4R)-N-ethyl-4-[(4-fluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45212492
(2S,4S)-1-[(3,5-dimethylphenyl)methyl]-N-ethyl-4-[[(E)-hex-3-enoyl]amino]pyrrolidine-2-carboxamide
CID 72902813

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 72923158) is (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is YKDILLSKOLRJJO-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-21-20(26)19-12-17(22-15(2)25)14-24(19)13-16-5-4-6-18(11-16)23-7-9-27-10-8-23/h4-6,11,17,19H,3,7-10,12-14H2,1-2H3,(H,21,26)(H,22,25)/t17-,19-/m0/s1.
What are the key properties of (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72923158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).