3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid

C16H18N2O3 — CID 61195692

IUPAC3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
SMILESCCCN(C)C(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-8-18(2)16(21)17-14-10-12-7-5-4-6-11(12)9-13(14)15(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyVEWPLHSYVWBZOM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.41
Rot. Bonds4

About 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid

3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid (PubChem CID 61195692) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
PubChem CID61195692
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
SMILESCCCN(C)C(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-8-18(2)16(21)17-14-10-12-7-5-4-6-11(12)9-13(14)15(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyVEWPLHSYVWBZOM-UHFFFAOYSA-N
XLogP3.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
CID 61189207
3-bromo-2-[[methyl(propyl)carbamoyl]amino]benzoic acid
CID 63113132
5-chloro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61197584
5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61199857
3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990
3-[(2-acetamidoacetyl)amino]naphthalene-2-carboxylic acid
CID 24702381
3-(pentan-2-ylamino)naphthalene-2-carboxylic acid
CID 107886429
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
3-[[2-[4-(4-butylphenyl)phenyl]acetyl]amino]naphthalene-2-carboxylic acid
CID 146620058
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
3-[(2-propan-2-ylsulfanylacetyl)amino]naphthalene-2-carboxylic acid
CID 43170984

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid (CID 61195692) is 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid is CCCN(C)C(=O)Nc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid?
The InChIKey is VEWPLHSYVWBZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-8-18(2)16(21)17-14-10-12-7-5-4-6-11(12)9-13(14)15(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid?
3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 61195692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).