1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide

C19H35N5O4 — CID 23763310

IUPAC1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(CCN2CCOCC2)C(=O)C(C)C)CC1C(=O)NCCN
InChIInChI=1S/C19H35N5O4/c1-14(2)19(27)23(7-6-22-8-10-28-11-9-22)16-12-17(18(26)21-5-4-20)24(13-16)15(3)25/h14,16-17H,4-13,20H2,1-3H3,(H,21,26)
InChIKeyXZAWHTMYFLUJNZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP-1.13
Rot. Bonds8

About 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide

1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide (PubChem CID 23763310) has the molecular formula C19H35N5O4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
PubChem CID23763310
Molecular FormulaC19H35N5O4
Molecular Weight397.52 g/mol
Exact Mass397.27
IUPAC Name1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(CCN2CCOCC2)C(=O)C(C)C)CC1C(=O)NCCN
InChIInChI=1S/C19H35N5O4/c1-14(2)19(27)23(7-6-22-8-10-28-11-9-22)16-12-17(18(26)21-5-4-20)24(13-16)15(3)25/h14,16-17H,4-13,20H2,1-3H3,(H,21,26)
InChIKeyXZAWHTMYFLUJNZ-UHFFFAOYSA-N
XLogP-1.13
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[4-(ethylamino)-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 44330977
Piperazine, 1-(4-morpholinylacetyl)-4-((5-oxo-2-pyrrolidinyl)carbonyl)-
CID 3066696
1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3237581
(2S)-2-[[(2S)-2-[acetyl(3-ethoxypropyl)amino]-4-methylpentanoyl]amino]-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 45273241
1-cyclohexyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 3319860
(2S)-2-[[2-[acetyl(3-ethoxypropyl)amino]-4-methylpentanoyl]amino]-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 45272368
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411467
N-cyclopentyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4103169
(2S,5aS,8aR)-6-(2,2-dimethylpropyl)-1-methyl-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45361086
N-Cyclopentyl-2-methyl-1-[3-(morpholin-4-YL)propyl]-5-oxopyrrolidine-2-carboxamide
CID 46247075
2-Methyl-N-(3-methylbutyl)-1-[3-(morpholin-4-YL)propyl]-5-oxopyrrolidine-2-carboxamide
CID 46247124
N,2-dimethyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 75411482

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide (CID 23763310) is 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide is CC(=O)N1CC(N(CCN2CCOCC2)C(=O)C(C)C)CC1C(=O)NCCN.
What is the InChIKey of 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is XZAWHTMYFLUJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O4/c1-14(2)19(27)23(7-6-22-8-10-28-11-9-22)16-12-17(18(26)21-5-4-20)24(13-16)15(3)25/h14,16-17H,4-13,20H2,1-3H3,(H,21,26).
What are the key properties of 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of -1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23763310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).