N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C16H27N5O5 — CID 58932741

IUPACN-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(N)CCCCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H27N5O5/c17-12(18)3-1-2-7-19-14(23)11-26-10-8-20-13(22)6-9-21-15(24)4-5-16(21)25/h4-5,12H,1-3,6-11,17-18H2,(H,19,23)(H,20,22)
InChIKeyXBGKMXMTKJTCCG-UHFFFAOYSA-N
MW369.42 g/mol
LogP-2.04
Rot. Bonds13

About N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 58932741) has the molecular formula C16H27N5O5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID58932741
Molecular FormulaC16H27N5O5
Molecular Weight369.42 g/mol
Exact Mass369.20
IUPAC NameN-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(N)CCCCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H27N5O5/c17-12(18)3-1-2-7-19-14(23)11-26-10-8-20-13(22)6-9-21-15(24)4-5-16(21)25/h4-5,12H,1-3,6-11,17-18H2,(H,19,23)(H,20,22)
InChIKeyXBGKMXMTKJTCCG-UHFFFAOYSA-N
XLogP-2.04
TPSA156.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide
CID 20710719
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethyl hydrogen carbonate
CID 134600059
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 169179123
2-amino-6-[[2-[2-[5-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]hexanamide
CID 159121307
N-[2-[2-[[5-(aminomethyl)-6-oxo-6-thiophosphorosohexyl]amino]-2-oxoethoxy]ethoxy]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59888435
(2S)-2-amino-N-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propyl]-3-hydroxypropanamide
CID 141273397
acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione
CID 159587121
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
20-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 87535640
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane
CID 156743442

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 58932741) is N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NC(N)CCCCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is XBGKMXMTKJTCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O5/c17-12(18)3-1-2-7-19-14(23)11-26-10-8-20-13(22)6-9-21-15(24)4-5-16(21)25/h4-5,12H,1-3,6-11,17-18H2,(H,19,23)(H,20,22).
What are the key properties of N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 369.42 g/mol, XLogP of -2.04, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 58932741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).