2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide

C19H30N4O7 — CID 156882898

IUPAC2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide
SMILESCN(Cc1cc(NC(=O)COCCOCCOCC(O)CN)ccc1C=O)NC=O
InChIInChI=1S/C19H30N4O7/c1-23(21-14-25)10-16-8-17(3-2-15(16)11-24)22-19(27)13-30-7-5-28-4-6-29-12-18(26)9-20/h2-3,8,11,14,18,26H,4-7,9-10,12-13,20H2,1H3,(H,21,25)(H,22,27)
InChIKeyHZBZZQLICNFROY-UHFFFAOYSA-N
MW426.47 g/mol
LogP-1.10
Rot. Bonds17

About 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide

2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide (PubChem CID 156882898) has the molecular formula C19H30N4O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide
PubChem CID156882898
Molecular FormulaC19H30N4O7
Molecular Weight426.47 g/mol
Exact Mass426.21
IUPAC Name2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide
SMILESCN(Cc1cc(NC(=O)COCCOCCOCC(O)CN)ccc1C=O)NC=O
InChIInChI=1S/C19H30N4O7/c1-23(21-14-25)10-16-8-17(3-2-15(16)11-24)22-19(27)13-30-7-5-28-4-6-29-12-18(26)9-20/h2-3,8,11,14,18,26H,4-7,9-10,12-13,20H2,1H3,(H,21,25)(H,22,27)
InChIKeyHZBZZQLICNFROY-UHFFFAOYSA-N
XLogP-1.10
TPSA152.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide
CID 156883099
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314
2-(2-aminoethoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 79473739
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide?
The IUPAC name of 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide (CID 156882898) is 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide.
What is the SMILES notation for 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide?
The canonical SMILES for 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide is CN(Cc1cc(NC(=O)COCCOCCOCC(O)CN)ccc1C=O)NC=O.
What is the InChIKey of 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide?
The InChIKey is HZBZZQLICNFROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O7/c1-23(21-14-25)10-16-8-17(3-2-15(16)11-24)22-19(27)13-30-7-5-28-4-6-29-12-18(26)9-20/h2-3,8,11,14,18,26H,4-7,9-10,12-13,20H2,1H3,(H,21,25)(H,22,27).
What are the key properties of 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide?
2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide has a molecular weight of 426.47 g/mol, XLogP of -1.10, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide is sourced from PubChem (CID 156882898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).