N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide

C27H48N2O3 — CID 54822487

IUPACN-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCOC)cc1
InChIInChI=1S/C27H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-27(30)24-29-25-17-19-26(20-18-25)32-23-22-31-2/h17-20,29H,3-16,21-24H2,1-2H3,(H,28,30)
InChIKeyCQEBRTNIYBMUKA-UHFFFAOYSA-N
MW448.69 g/mol
LogP6.72
Rot. Bonds22

About N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide

N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide (PubChem CID 54822487) has the molecular formula C27H48N2O3 and a molecular weight of 448.69 g/mol. Its IUPAC name is N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
PubChem CID54822487
Molecular FormulaC27H48N2O3
Molecular Weight448.69 g/mol
Exact Mass448.37
IUPAC NameN-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCOC)cc1
InChIInChI=1S/C27H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-27(30)24-29-25-17-19-26(20-18-25)32-23-22-31-2/h17-20,29H,3-16,21-24H2,1-2H3,(H,28,30)
InChIKeyCQEBRTNIYBMUKA-UHFFFAOYSA-N
XLogP6.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
CID 54825377
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821761
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide?
The IUPAC name of N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide (CID 54822487) is N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide?
The canonical SMILES for N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide is CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCOC)cc1.
What is the InChIKey of N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide?
The InChIKey is CQEBRTNIYBMUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-27(30)24-29-25-17-19-26(20-18-25)32-23-22-31-2/h17-20,29H,3-16,21-24H2,1-2H3,(H,28,30).
What are the key properties of N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide?
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide has a molecular weight of 448.69 g/mol, XLogP of 6.72, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54822487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).