N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide

C22H18N2O3 — CID 90580490

IUPACN-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3/c23-21(25)19-9-3-4-10-20(19)27-14-6-5-13-24-22(26)18-12-11-16-7-1-2-8-17(16)15-18/h1-4,7-12,15H,13-14H2,(H2,23,25)(H,24,26)
InChIKeyJDSPGCTVHLCUCZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.75
Rot. Bonds5

About N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide

N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide (PubChem CID 90580490) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
PubChem CID90580490
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3/c23-21(25)19-9-3-4-10-20(19)27-14-6-5-13-24-22(26)18-12-11-16-7-1-2-8-17(16)15-18/h1-4,7-12,15H,13-14H2,(H2,23,25)(H,24,26)
InChIKeyJDSPGCTVHLCUCZ-UHFFFAOYSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
2-[4-[[3-(dimethylamino)benzoyl]amino]but-2-ynoxy]benzamide
CID 90580556
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90576897
2-[4-[(2-methylsulfanylbenzoyl)amino]but-2-ynoxy]benzamide
CID 90580532
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-6-methoxy-1H-indole-2-carboxamide
CID 90580572
N-[4-(3-bromophenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90576498
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90580558
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyltriazole-4-carboxamide
CID 71803293
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]but-2-ynoxy]benzamide
CID 71803254
ethyl 2-[4-(2-carbamoylphenoxy)but-2-ynylamino]-2-oxoacetate
CID 90580446
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 90580567

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide (CID 90580490) is N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide is NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
The InChIKey is JDSPGCTVHLCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c23-21(25)19-9-3-4-10-20(19)27-14-6-5-13-24-22(26)18-12-11-16-7-1-2-8-17(16)15-18/h1-4,7-12,15H,13-14H2,(H2,23,25)(H,24,26).
What are the key properties of N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide is sourced from PubChem (CID 90580490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).