N,N-diethyl-2-(3-heptoxyanilino)acetamide

C19H32N2O2 — CID 54829038

IUPACN,N-diethyl-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)N(CC)CC)c1
InChIInChI=1S/C19H32N2O2/c1-4-7-8-9-10-14-23-18-13-11-12-17(15-18)20-16-19(22)21(5-2)6-3/h11-13,15,20H,4-10,14,16H2,1-3H3
InChIKeyDHOHOFBIKNRKCP-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.32
Rot. Bonds12

About N,N-diethyl-2-(3-heptoxyanilino)acetamide

N,N-diethyl-2-(3-heptoxyanilino)acetamide (PubChem CID 54829038) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N,N-diethyl-2-(3-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-heptoxyanilino)acetamide
PubChem CID54829038
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN,N-diethyl-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)N(CC)CC)c1
InChIInChI=1S/C19H32N2O2/c1-4-7-8-9-10-14-23-18-13-11-12-17(15-18)20-16-19(22)21(5-2)6-3/h11-13,15,20H,4-10,14,16H2,1-3H3
InChIKeyDHOHOFBIKNRKCP-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(4-hexoxyanilino)acetamide
CID 54820685
N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
N-tert-butyl-2-(3-heptoxyanilino)acetamide
CID 54829073
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-heptoxyanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(3-heptoxyanilino)acetamide (CID 54829038) is N,N-diethyl-2-(3-heptoxyanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-heptoxyanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-heptoxyanilino)acetamide is CCCCCCCOc1cccc(NCC(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-2-(3-heptoxyanilino)acetamide?
The InChIKey is DHOHOFBIKNRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-7-8-9-10-14-23-18-13-11-12-17(15-18)20-16-19(22)21(5-2)6-3/h11-13,15,20H,4-10,14,16H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-heptoxyanilino)acetamide?
N,N-diethyl-2-(3-heptoxyanilino)acetamide has a molecular weight of 320.48 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-heptoxyanilino)acetamide is sourced from PubChem (CID 54829038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).