N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide

C33H38N2O2 — CID 137492009

IUPACN-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
SMILESO=C(NCCCCCCCCCCCNC(=O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C33H38N2O2/c36-32(30-22-14-18-26-16-8-10-20-28(26)30)34-24-12-6-4-2-1-3-5-7-13-25-35-33(37)31-23-15-19-27-17-9-11-21-29(27)31/h8-11,14-23H,1-7,12-13,24-25H2,(H,34,36)(H,35,37)
InChIKeyCFURESXLFTZMLC-UHFFFAOYSA-N
MW494.68 g/mol
LogP7.66
Rot. Bonds14

About N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide

N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide (PubChem CID 137492009) has the molecular formula C33H38N2O2 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
PubChem CID137492009
Molecular FormulaC33H38N2O2
Molecular Weight494.68 g/mol
Exact Mass494.29
IUPAC NameN-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
SMILESO=C(NCCCCCCCCCCCNC(=O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C33H38N2O2/c36-32(30-22-14-18-26-16-8-10-20-28(26)30)34-24-12-6-4-2-1-3-5-7-13-25-35-33(37)31-23-15-19-27-17-9-11-21-29(27)31/h8-11,14-23H,1-7,12-13,24-25H2,(H,34,36)(H,35,37)
InChIKeyCFURESXLFTZMLC-UHFFFAOYSA-N
XLogP7.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-dodecylnaphthalene-1-carboxamide
CID 4278758
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide
CID 10502272
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
CID 103767307
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638

Frequently Asked Questions

What is the IUPAC name of N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide?
The IUPAC name of N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide (CID 137492009) is N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide is O=C(NCCCCCCCCCCCNC(=O)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide?
The InChIKey is CFURESXLFTZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O2/c36-32(30-22-14-18-26-16-8-10-20-28(26)30)34-24-12-6-4-2-1-3-5-7-13-25-35-33(37)31-23-15-19-27-17-9-11-21-29(27)31/h8-11,14-23H,1-7,12-13,24-25H2,(H,34,36)(H,35,37).
What are the key properties of N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide?
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide has a molecular weight of 494.68 g/mol, XLogP of 7.66, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide is sourced from PubChem (CID 137492009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).