2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide

C22H33N3O7 — CID 170967389

IUPAC2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide
SMILESCC(=O)NC(Cc1ccc(C(=O)C(C)=O)cc1)C(=O)NCCOCCOCCOCCN
InChIInChI=1S/C22H33N3O7/c1-16(26)21(28)19-5-3-18(4-6-19)15-20(25-17(2)27)22(29)24-8-10-31-12-14-32-13-11-30-9-7-23/h3-6,20H,7-15,23H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyNKEDLGRYFHLCJX-UHFFFAOYSA-N
MW451.52 g/mol
LogP-0.37
Rot. Bonds17

About 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide

2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide (PubChem CID 170967389) has the molecular formula C22H33N3O7 and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide
PubChem CID170967389
Molecular FormulaC22H33N3O7
Molecular Weight451.52 g/mol
Exact Mass451.23
IUPAC Name2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide
SMILESCC(=O)NC(Cc1ccc(C(=O)C(C)=O)cc1)C(=O)NCCOCCOCCOCCN
InChIInChI=1S/C22H33N3O7/c1-16(26)21(28)19-5-3-18(4-6-19)15-20(25-17(2)27)22(29)24-8-10-31-12-14-32-13-11-30-9-7-23/h3-6,20H,7-15,23H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyNKEDLGRYFHLCJX-UHFFFAOYSA-N
XLogP-0.37
TPSA146.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-(2-aminoethoxy)ethyl]-3-phenyl-2-[[2-[(4-phenylphenyl)methylamino]acetyl]amino]propanamide
CID 11720409
(2S)-2-acetamido-N-(4-aminobutyl)-3-phenylpropanamide
CID 156899646
(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-(2-ethoxyethoxy)ethylamino]-4-oxobutanoic acid
CID 59562014
(2S)-2-acetamido-N-[8-(3-aminopropylamino)octyl]-3-(4-hydroxyphenyl)propanamide
CID 10145999
N-[(2S)-1-[2-(2-aminoethoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-[(4-phenylphenyl)methylamino]butanamide;hydrochloride
CID 11548353
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
(2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)propanamide
CID 131851064
(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
CID 102031408
(2S)-2-acetamido-3-(2-aminoethoxy)-N-[(4-ethynylphenyl)methyl]propanamide
CID 44542968
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]acetamide
CID 22111327
butyl 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 590199

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide?
The IUPAC name of 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide (CID 170967389) is 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide?
The canonical SMILES for 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide is CC(=O)NC(Cc1ccc(C(=O)C(C)=O)cc1)C(=O)NCCOCCOCCOCCN.
What is the InChIKey of 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide?
The InChIKey is NKEDLGRYFHLCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O7/c1-16(26)21(28)19-5-3-18(4-6-19)15-20(25-17(2)27)22(29)24-8-10-31-12-14-32-13-11-30-9-7-23/h3-6,20H,7-15,23H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide?
2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide has a molecular weight of 451.52 g/mol, XLogP of -0.37, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-[4-(2-oxopropanoyl)phenyl]propanamide is sourced from PubChem (CID 170967389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).