(2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide

C15H29N3O6 — CID 155589290

IUPAC(2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide
SMILESCCC[C@H](NC(C)=O)C(=O)NCC(=O)NCCOCCOCCO
InChIInChI=1S/C15H29N3O6/c1-3-4-13(18-12(2)20)15(22)17-11-14(21)16-5-7-23-9-10-24-8-6-19/h13,19H,3-11H2,1-2H3,(H,16,21)(H,17,22)(H,18,20)/t13-/m0/s1
InChIKeyMMNOFPBGABYQHC-ZDUSSCGKSA-N
MW347.41 g/mol
LogP-1.45
Rot. Bonds14

About (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide

(2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide (PubChem CID 155589290) has the molecular formula C15H29N3O6 and a molecular weight of 347.41 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide
PubChem CID155589290
Molecular FormulaC15H29N3O6
Molecular Weight347.41 g/mol
Exact Mass347.21
IUPAC Name(2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide
SMILESCCC[C@H](NC(C)=O)C(=O)NCC(=O)NCCOCCOCCO
InChIInChI=1S/C15H29N3O6/c1-3-4-13(18-12(2)20)15(22)17-11-14(21)16-5-7-23-9-10-24-8-6-19/h13,19H,3-11H2,1-2H3,(H,16,21)(H,17,22)(H,18,20)/t13-/m0/s1
InChIKeyMMNOFPBGABYQHC-ZDUSSCGKSA-N
XLogP-1.45
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107769824
(2R)-2-acetamido-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[2-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide;2-acetamido-5-(diaminomethylideneamino)-N-[(2R)-5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide;(2R)-2-acetamido-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[2-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 161428803
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 170008061
2-[[4-[(4-ethoxy-4-methylpentanoyl)amino]-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoyl]amino]-N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentanediamide
CID 155219981
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-pentan-2-yloxyacetamide
CID 156860402
2,4-diethyl-N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentanediamide
CID 89382356

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide?
The IUPAC name of (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide (CID 155589290) is (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide?
The canonical SMILES for (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide is CCC[C@H](NC(C)=O)C(=O)NCC(=O)NCCOCCOCCO.
What is the InChIKey of (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide?
The InChIKey is MMNOFPBGABYQHC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O6/c1-3-4-13(18-12(2)20)15(22)17-11-14(21)16-5-7-23-9-10-24-8-6-19/h13,19H,3-11H2,1-2H3,(H,16,21)(H,17,22)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide?
(2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide has a molecular weight of 347.41 g/mol, XLogP of -1.45, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 155589290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).