4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide

C14H25N3O6 — CID 166729277

IUPAC4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide
SMILESNC(C=O)CCC(=O)NC(C=O)CCC(=O)NCCOCCO
InChIInChI=1S/C14H25N3O6/c15-11(9-19)1-3-14(22)17-12(10-20)2-4-13(21)16-5-7-23-8-6-18/h9-12,18H,1-8,15H2,(H,16,21)(H,17,22)
InChIKeyIZJFCMUSBFABKC-UHFFFAOYSA-N
MW331.37 g/mol
LogP-2.12
Rot. Bonds14

About 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide

4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide (PubChem CID 166729277) has the molecular formula C14H25N3O6 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Name4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide
PubChem CID166729277
Molecular FormulaC14H25N3O6
Molecular Weight331.37 g/mol
Exact Mass331.17
IUPAC Name4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide
SMILESNC(C=O)CCC(=O)NC(C=O)CCC(=O)NCCOCCO
InChIInChI=1S/C14H25N3O6/c15-11(9-19)1-3-14(22)17-12(10-20)2-4-13(21)16-5-7-23-8-6-18/h9-12,18H,1-8,15H2,(H,16,21)(H,17,22)
InChIKeyIZJFCMUSBFABKC-UHFFFAOYSA-N
XLogP-2.12
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 177324928
[5-acetamido-3,4-diacetyloxy-6-[2-[2-[[(4S)-4-[[(4S)-4-amino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]-6-hydroxy-2-methylhexyl] acetate
CID 130424215
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 174285233
(2S)-2-amino-5-[2-[2-[2-[2-[2-[2-[[(2S)-4-amino-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 130250435
(2S)-5-[2-[2-[2-[2-[2-[2-[(4-carboxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-(methylamino)-5-oxopentanoic acid
CID 171545693
20-[[4-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 143864267
20-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-amino-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 155232244
18-[[4-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 123862795
18-[[4-[2-[2-[2-[2-[2-[2-[[2-[(4-carboxy-1-oxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 139387538
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide?
The IUPAC name of 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide (CID 166729277) is 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide.
What is the SMILES notation for 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide?
The canonical SMILES for 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide is NC(C=O)CCC(=O)NC(C=O)CCC(=O)NCCOCCO.
What is the InChIKey of 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide?
The InChIKey is IZJFCMUSBFABKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O6/c15-11(9-19)1-3-14(22)17-12(10-20)2-4-13(21)16-5-7-23-8-6-18/h9-12,18H,1-8,15H2,(H,16,21)(H,17,22).
What are the key properties of 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide?
4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide has a molecular weight of 331.37 g/mol, XLogP of -2.12, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide is sourced from PubChem (CID 166729277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).