4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide

C19H31N3O5 — CID 156883008

IUPAC4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCC(=O)CCNCCOCCOCCOCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C19H31N3O5/c1-16(23)6-7-21-8-10-25-12-14-27-15-13-26-11-9-22-19(24)17-2-4-18(20)5-3-17/h2-5,21H,6-15,20H2,1H3,(H,22,24)
InChIKeyMWJDTHBHUOVNML-UHFFFAOYSA-N
MW381.47 g/mol
LogP0.62
Rot. Bonds16

About 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide

4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 156883008) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
PubChem CID156883008
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Name4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCC(=O)CCNCCOCCOCCOCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C19H31N3O5/c1-16(23)6-7-21-8-10-25-12-14-27-15-13-26-11-9-22-19(24)17-2-4-18(20)5-3-17/h2-5,21H,6-15,20H2,1H3,(H,22,24)
InChIKeyMWJDTHBHUOVNML-UHFFFAOYSA-N
XLogP0.62
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
CID 90278399
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 166949496
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
4-methyl-N-[2-(2-propoxyethylamino)ethyl]benzamide
CID 106451707
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide (CID 156883008) is 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide is CC(=O)CCNCCOCCOCCOCCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is MWJDTHBHUOVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-16(23)6-7-21-8-10-25-12-14-27-15-13-26-11-9-22-19(24)17-2-4-18(20)5-3-17/h2-5,21H,6-15,20H2,1H3,(H,22,24).
What are the key properties of 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 381.47 g/mol, XLogP of 0.62, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 156883008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).