N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide

C20H20N2O2 — CID 172671517

IUPACN-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide
SMILESNCCCNC(=O)c1ccc(-c2cccc(O)c2)c2ccccc12
InChIInChI=1S/C20H20N2O2/c21-11-4-12-22-20(24)19-10-9-16(14-5-3-6-15(23)13-14)17-7-1-2-8-18(17)19/h1-3,5-10,13,23H,4,11-12,21H2,(H,22,24)
InChIKeyDRNMLCWPWOJJQA-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.29
Rot. Bonds5

About N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide

N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide (PubChem CID 172671517) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide
PubChem CID172671517
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide
SMILESNCCCNC(=O)c1ccc(-c2cccc(O)c2)c2ccccc12
InChIInChI=1S/C20H20N2O2/c21-11-4-12-22-20(24)19-10-9-16(14-5-3-6-15(23)13-14)17-7-1-2-8-18(17)19/h1-3,5-10,13,23H,4,11-12,21H2,(H,22,24)
InChIKeyDRNMLCWPWOJJQA-UHFFFAOYSA-N
XLogP3.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385
N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide
CID 172661655
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
1-(3-aminopropyl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235452
4-N-(3-aminopropyl)-2,3-dihydroxybenzene-1,4-dicarboxamide
CID 123259789
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide
CID 172669867
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide (CID 172671517) is N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide is NCCCNC(=O)c1ccc(-c2cccc(O)c2)c2ccccc12.
What is the InChIKey of N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide?
The InChIKey is DRNMLCWPWOJJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-11-4-12-22-20(24)19-10-9-16(14-5-3-6-15(23)13-14)17-7-1-2-8-18(17)19/h1-3,5-10,13,23H,4,11-12,21H2,(H,22,24).
What are the key properties of N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide?
N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 172671517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).