4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide

C20H35N3O2 — CID 163716386

IUPAC4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide
SMILESCC(C)(C)NCCCOCCNC(=O)c1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C20H35N3O2/c1-19(2,3)22-12-7-14-25-15-13-21-18(24)16-8-10-17(11-9-16)23-20(4,5)6/h8-11,22-23H,7,12-15H2,1-6H3,(H,21,24)
InChIKeyKNSNENWAISFPBY-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.42
Rot. Bonds9

About 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide

4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide (PubChem CID 163716386) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide
PubChem CID163716386
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide
SMILESCC(C)(C)NCCCOCCNC(=O)c1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C20H35N3O2/c1-19(2,3)22-12-7-14-25-15-13-21-18(24)16-8-10-17(11-9-16)23-20(4,5)6/h8-11,22-23H,7,12-15H2,1-6H3,(H,21,24)
InChIKeyKNSNENWAISFPBY-UHFFFAOYSA-N
XLogP3.42
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309234
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 55046818
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide?
The IUPAC name of 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide (CID 163716386) is 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide.
What is the SMILES notation for 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide?
The canonical SMILES for 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide is CC(C)(C)NCCCOCCNC(=O)c1ccc(NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide?
The InChIKey is KNSNENWAISFPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-19(2,3)22-12-7-14-25-15-13-21-18(24)16-8-10-17(11-9-16)23-20(4,5)6/h8-11,22-23H,7,12-15H2,1-6H3,(H,21,24).
What are the key properties of 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide?
4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide has a molecular weight of 349.52 g/mol, XLogP of 3.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide is sourced from PubChem (CID 163716386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).