N-tert-butyl-2-(3-heptoxyanilino)acetamide

C19H32N2O2 — CID 54829073

IUPACN-tert-butyl-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H32N2O2/c1-5-6-7-8-9-13-23-17-12-10-11-16(14-17)20-15-18(22)21-19(2,3)4/h10-12,14,20H,5-9,13,15H2,1-4H3,(H,21,22)
InChIKeyVRUDXSMDMDZEHL-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.36
Rot. Bonds10

About N-tert-butyl-2-(3-heptoxyanilino)acetamide

N-tert-butyl-2-(3-heptoxyanilino)acetamide (PubChem CID 54829073) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-tert-butyl-2-(3-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-heptoxyanilino)acetamide
PubChem CID54829073
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-tert-butyl-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H32N2O2/c1-5-6-7-8-9-13-23-17-12-10-11-16(14-17)20-15-18(22)21-19(2,3)4/h10-12,14,20H,5-9,13,15H2,1-4H3,(H,21,22)
InChIKeyVRUDXSMDMDZEHL-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N,N-diethyl-2-(3-heptoxyanilino)acetamide
CID 54829038
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-heptoxyanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(3-heptoxyanilino)acetamide (CID 54829073) is N-tert-butyl-2-(3-heptoxyanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-heptoxyanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-heptoxyanilino)acetamide is CCCCCCCOc1cccc(NCC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-(3-heptoxyanilino)acetamide?
The InChIKey is VRUDXSMDMDZEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-6-7-8-9-13-23-17-12-10-11-16(14-17)20-15-18(22)21-19(2,3)4/h10-12,14,20H,5-9,13,15H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-2-(3-heptoxyanilino)acetamide?
N-tert-butyl-2-(3-heptoxyanilino)acetamide has a molecular weight of 320.48 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-heptoxyanilino)acetamide is sourced from PubChem (CID 54829073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).