N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide

C17H28N4O5 — CID 167024259

IUPACN-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide
SMILESCCNC(=O)COCCOC(N)COc1cccc(C(=O)NCCN)c1
InChIInChI=1S/C17H28N4O5/c1-2-20-16(22)12-24-8-9-25-15(19)11-26-14-5-3-4-13(10-14)17(23)21-7-6-18/h3-5,10,15H,2,6-9,11-12,18-19H2,1H3,(H,20,22)(H,21,23)
InChIKeyVRYMIQSPEUKDOD-UHFFFAOYSA-N
MW368.43 g/mol
LogP-0.79
Rot. Bonds13

About N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide

N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide (PubChem CID 167024259) has the molecular formula C17H28N4O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide
PubChem CID167024259
Molecular FormulaC17H28N4O5
Molecular Weight368.43 g/mol
Exact Mass368.21
IUPAC NameN-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide
SMILESCCNC(=O)COCCOC(N)COc1cccc(C(=O)NCCN)c1
InChIInChI=1S/C17H28N4O5/c1-2-20-16(22)12-24-8-9-25-15(19)11-26-14-5-3-4-13(10-14)17(23)21-7-6-18/h3-5,10,15H,2,6-9,11-12,18-19H2,1H3,(H,20,22)(H,21,23)
InChIKeyVRYMIQSPEUKDOD-UHFFFAOYSA-N
XLogP-0.79
TPSA137.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 5-0.79
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'}

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Related Compounds

3-[2-amino-2-[2-[2-(but-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-(2-aminoethyl)benzamide
CID 153336620
3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide
CID 146528382
3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 153336638
3-[2-amino-2-[2-[2-oxo-2-[2-[(E)-pent-2-enoxy]ethylamino]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 156841690
3-[2-amino-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 146260560
CID 153336637
CID 153336637
N-[2-[(6-acetamido-2-formamidohexanoyl)amino]ethyl]-3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide
CID 155699447
3-[2-amino-2-[2-(3-prop-2-ynoxypropoxy)ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 146499242
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide
CID 90399776
1-[2-[1-amino-2-[3-(3-aminopropyl)phenoxy]ethoxy]ethoxy]propan-2-one
CID 177339167
N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]benzamide;thiocyanic acid
CID 154642859

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide?
The IUPAC name of N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide (CID 167024259) is N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide is CCNC(=O)COCCOC(N)COc1cccc(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide?
The InChIKey is VRYMIQSPEUKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5/c1-2-20-16(22)12-24-8-9-25-15(19)11-26-14-5-3-4-13(10-14)17(23)21-7-6-18/h3-5,10,15H,2,6-9,11-12,18-19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide?
N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide has a molecular weight of 368.43 g/mol, XLogP of -0.79, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide is sourced from PubChem (CID 167024259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).