(2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide

C19H33N3O2 — CID 100643988

IUPAC(2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide
SMILESCCCn1ccc(CNC(=O)[C@H](C(CC)CC)N2CCOCC2)c1
InChIInChI=1S/C19H33N3O2/c1-4-8-21-9-7-16(15-21)14-20-19(23)18(17(5-2)6-3)22-10-12-24-13-11-22/h7,9,15,17-18H,4-6,8,10-14H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyWQZRGZKXDSGLQA-SFHVURJKSA-N
MW335.49 g/mol
LogP2.65
Rot. Bonds9

About (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide

(2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide (PubChem CID 100643988) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide
PubChem CID100643988
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide
SMILESCCCn1ccc(CNC(=O)[C@H](C(CC)CC)N2CCOCC2)c1
InChIInChI=1S/C19H33N3O2/c1-4-8-21-9-7-16(15-21)14-20-19(23)18(17(5-2)6-3)22-10-12-24-13-11-22/h7,9,15,17-18H,4-6,8,10-14H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyWQZRGZKXDSGLQA-SFHVURJKSA-N
XLogP2.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide
CID 119035606
3-ethyl-N-[3-(methylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
CID 119432428
N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
CID 56588150
N-(2-amino-2-ethylbutyl)-3-ethyl-2-morpholin-4-ylpentanamide
CID 119642279
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
CID 120652628
3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
CID 119393081
1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 71980803
3-ethyl-2-morpholin-4-ylpentanamide
CID 154739613
(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid
CID 119364378
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66415755
3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
CID 75373599
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide?
The IUPAC name of (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide (CID 100643988) is (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide?
The canonical SMILES for (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide is CCCn1ccc(CNC(=O)[C@H](C(CC)CC)N2CCOCC2)c1.
What is the InChIKey of (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide?
The InChIKey is WQZRGZKXDSGLQA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-8-21-9-7-16(15-21)14-20-19(23)18(17(5-2)6-3)22-10-12-24-13-11-22/h7,9,15,17-18H,4-6,8,10-14H2,1-3H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide?
(2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide has a molecular weight of 335.49 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-2-morpholin-4-yl-N-[(1-propylpyrrol-3-yl)methyl]pentanamide is sourced from PubChem (CID 100643988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).