3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide

C24H27ClN2O3 — CID 90944531

IUPAC3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
SMILESCCCCOc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OCCCN
InChIInChI=1S/C24H27ClN2O3/c1-2-3-12-30-23-16-19(25)9-10-21(23)27-24(28)20-14-17-7-4-5-8-18(17)15-22(20)29-13-6-11-26/h4-5,7-10,14-16H,2-3,6,11-13,26H2,1H3,(H,27,28)
InChIKeyLMKWHHSWCNQFEY-UHFFFAOYSA-N
MW426.94 g/mol
LogP5.65
Rot. Bonds10

About 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide

3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide (PubChem CID 90944531) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
PubChem CID90944531
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
SMILESCCCCOc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OCCCN
InChIInChI=1S/C24H27ClN2O3/c1-2-3-12-30-23-16-19(25)9-10-21(23)27-24(28)20-14-17-7-4-5-8-18(17)15-22(20)29-13-6-11-26/h4-5,7-10,14-16H,2-3,6,11-13,26H2,1H3,(H,27,28)
InChIKeyLMKWHHSWCNQFEY-UHFFFAOYSA-N
XLogP5.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[3-[2-[[3-(3-aminopropoxy)naphthalene-2-carbonyl]amino]ethoxy]naphthalene-2-carbonyl]amino]-5-chlorophenyl] hydrogen sulfate
CID 166633977
3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide
CID 71566397
3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]-6-methylnaphthalene-2-carboxamide
CID 167229831
3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 90697122
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
N-[2-[3-[(5-amino-2,2,4,4-tetramethylpentyl)amino]propoxy]-4-chlorophenyl]-3-hydroxynaphthalene-2-carboxamide;ethane
CID 143981565
N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 19240940
2-butoxy-5-chlorobenzohydrazide
CID 54795706
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
CID 35363899
3-(2-aminoethoxy)-N-(4-chlorophenyl)naphthalene-2-carboxamide;3-(3-aminopropoxy)-N-(4-chloro-2-hydroxyphenyl)naphthalene-2-carboxamide;N-[2-(3-aminopropoxy)-4-chlorophenyl]-3-hydroxynaphthalene-2-carboxamide;N-(4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide;3-hydroxy-N-pyrazin-2-ylnaphthalene-2-carboxamide;3-hydroxy-N-pyridin-2-ylnaphthalene-2-carboxamide;3-hydroxy-N-pyridin-4-ylnaphthalene-2-carboxamide;dihydrochloride
CID 159579729
N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 71417500
methyl 2-butoxy-4-chlorobenzoate
CID 78846722

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide (CID 90944531) is 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide is CCCCOc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OCCCN.
What is the InChIKey of 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide?
The InChIKey is LMKWHHSWCNQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-2-3-12-30-23-16-19(25)9-10-21(23)27-24(28)20-14-17-7-4-5-8-18(17)15-22(20)29-13-6-11-26/h4-5,7-10,14-16H,2-3,6,11-13,26H2,1H3,(H,27,28).
What are the key properties of 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide?
3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide has a molecular weight of 426.94 g/mol, XLogP of 5.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 90944531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).