2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide

C12H27N3O4 — CID 123586963

IUPAC2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
SMILESNCCCOCCOCCOCCCNC(=O)CN
InChIInChI=1S/C12H27N3O4/c13-3-1-5-17-7-9-19-10-8-18-6-2-4-15-12(16)11-14/h1-11,13-14H2,(H,15,16)
InChIKeyMJIUWBANJNMPMX-UHFFFAOYSA-N
MW277.36 g/mol
LogP-1.15
Rot. Bonds14

About 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide

2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide (PubChem CID 123586963) has the molecular formula C12H27N3O4 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
PubChem CID123586963
Molecular FormulaC12H27N3O4
Molecular Weight277.36 g/mol
Exact Mass277.20
IUPAC Name2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
SMILESNCCCOCCOCCOCCCNC(=O)CN
InChIInChI=1S/C12H27N3O4/c13-3-1-5-17-7-9-19-10-8-18-6-2-4-15-12(16)11-14/h1-11,13-14H2,(H,15,16)
InChIKeyMJIUWBANJNMPMX-UHFFFAOYSA-N
XLogP-1.15
TPSA108.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide
CID 102362267
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
CID 143771941
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 164805844
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
3,6-diamino-2-N,5-N-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrazine-2,5-dicarboxamide;dihydrochloride
CID 67478725
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
CID 138616287
(2S)-2,6-diamino-N-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-diaminohexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 86675712

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide?
The IUPAC name of 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide (CID 123586963) is 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide is NCCCOCCOCCOCCCNC(=O)CN.
What is the InChIKey of 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide?
The InChIKey is MJIUWBANJNMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O4/c13-3-1-5-17-7-9-19-10-8-18-6-2-4-15-12(16)11-14/h1-11,13-14H2,(H,15,16).
What are the key properties of 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide?
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of -1.15, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide is sourced from PubChem (CID 123586963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).