N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide

C30H45ClN2O3 — CID 54220471

IUPACN-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide
SMILESCCCCCCCCCCCCC(Oc1ccc(O)c(C(C)CC)c1)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C30H45ClN2O3/c1-4-6-7-8-9-10-11-12-13-14-15-29(30(35)33-23-16-18-26(31)27(32)20-23)36-24-17-19-28(34)25(21-24)22(3)5-2/h16-22,29,34H,4-15,32H2,1-3H3,(H,33,35)
InChIKeyWUNFVWKNCZENPV-UHFFFAOYSA-N
MW517.15 g/mol
LogP8.84
Rot. Bonds17

About N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide

N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide (PubChem CID 54220471) has the molecular formula C30H45ClN2O3 and a molecular weight of 517.15 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide
PubChem CID54220471
Molecular FormulaC30H45ClN2O3
Molecular Weight517.15 g/mol
Exact Mass516.31
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide
SMILESCCCCCCCCCCCCC(Oc1ccc(O)c(C(C)CC)c1)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C30H45ClN2O3/c1-4-6-7-8-9-10-11-12-13-14-15-29(30(35)33-23-16-18-26(31)27(32)20-23)36-24-17-19-28(34)25(21-24)22(3)5-2/h16-22,29,34H,4-15,32H2,1-3H3,(H,33,35)
InChIKeyWUNFVWKNCZENPV-UHFFFAOYSA-N
XLogP8.84
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.15
LogP ≤ 58.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(3-amino-4-chlorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]tetradecanamide
CID 23453552
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 43081016
N-[4-[2-(4-aminophenoxy)tetradecanoylamino]-5-chloro-2-hydroxyphenyl]benzamide
CID 14122422
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate
CID 98093426
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
2-(4-chloro-3-fluorophenoxy)octanamide
CID 175719063
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide (CID 54220471) is N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide is CCCCCCCCCCCCC(Oc1ccc(O)c(C(C)CC)c1)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide?
The InChIKey is WUNFVWKNCZENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45ClN2O3/c1-4-6-7-8-9-10-11-12-13-14-15-29(30(35)33-23-16-18-26(31)27(32)20-23)36-24-17-19-28(34)25(21-24)22(3)5-2/h16-22,29,34H,4-15,32H2,1-3H3,(H,33,35).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide?
N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide has a molecular weight of 517.15 g/mol, XLogP of 8.84, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide is sourced from PubChem (CID 54220471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).