6-(naphthalene-1-carbonylamino)hexanoic acid

C17H19NO3 — CID 14196780

IUPAC6-(naphthalene-1-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c19-16(20)11-2-1-5-12-18-17(21)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10H,1-2,5,11-12H2,(H,18,21)(H,19,20)
InChIKeyRLDNNWSVBLNRMK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.21
Rot. Bonds7

About 6-(naphthalene-1-carbonylamino)hexanoic acid

6-(naphthalene-1-carbonylamino)hexanoic acid (PubChem CID 14196780) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-(naphthalene-1-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(naphthalene-1-carbonylamino)hexanoic acid
PubChem CID14196780
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-(naphthalene-1-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c19-16(20)11-2-1-5-12-18-17(21)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10H,1-2,5,11-12H2,(H,18,21)(H,19,20)
InChIKeyRLDNNWSVBLNRMK-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.21
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-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-dodecylnaphthalene-1-carboxamide
CID 4278758
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide
CID 10502272
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalene-1-carbonylamino)hexanoic acid?
The IUPAC name of 6-(naphthalene-1-carbonylamino)hexanoic acid (CID 14196780) is 6-(naphthalene-1-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-(naphthalene-1-carbonylamino)hexanoic acid?
The canonical SMILES for 6-(naphthalene-1-carbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of 6-(naphthalene-1-carbonylamino)hexanoic acid?
The InChIKey is RLDNNWSVBLNRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-16(20)11-2-1-5-12-18-17(21)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10H,1-2,5,11-12H2,(H,18,21)(H,19,20).
What are the key properties of 6-(naphthalene-1-carbonylamino)hexanoic acid?
6-(naphthalene-1-carbonylamino)hexanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalene-1-carbonylamino)hexanoic acid is sourced from PubChem (CID 14196780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).